data_2R69 # _entry.id 2R69 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.398 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code _database_2.pdbx_database_accession _database_2.pdbx_DOI PDB 2R69 pdb_00002r69 10.2210/pdb2r69/pdb RCSB RCSB044476 ? ? WWPDB D_1000044476 ? ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2007-12-25 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-10-25 4 'Structure model' 1 3 2018-01-24 5 'Structure model' 1 4 2024-11-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? _pdbx_audit_revision_details.details ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Refinement description' 3 4 'Structure model' 'Structure summary' 4 5 'Structure model' 'Data collection' 5 5 'Structure model' 'Database references' 6 5 'Structure model' 'Structure summary' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 3 'Structure model' software 2 4 'Structure model' audit_author 3 5 'Structure model' chem_comp_atom 4 5 'Structure model' chem_comp_bond 5 5 'Structure model' database_2 6 5 'Structure model' pdbx_entry_details 7 5 'Structure model' pdbx_modification_feature 8 5 'Structure model' struct_ref_seq # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_audit_author.name' 2 5 'Structure model' '_database_2.pdbx_DOI' 3 5 'Structure model' '_database_2.pdbx_database_accession' 4 5 'Structure model' '_struct_ref_seq.db_align_end' # _pdbx_database_status.entry_id 2R69 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2007-09-05 _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.status_code_nmr_data ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Lok, S.M.' 1 'Kostyuchenko, V.K.' 2 'Nybakken, G.E.' 3 'Holdaway, H.A.' 4 'Battisti, A.J.' 5 'Sukupolvi-petty, S.' 6 'Sedlak, D.' 7 'Fremont, D.H.' 8 'Chipman, P.R.' 9 'Roehrig, J.T.' 10 'Diamond, M.S.' 11 'Kuhn, R.J.' 12 'Rossmann, M.G.' 13 # _citation.id primary _citation.title 'Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins.' _citation.journal_abbrev Nat.Struct.Mol.Biol. _citation.journal_volume 15 _citation.page_first 312 _citation.page_last 317 _citation.year 2008 _citation.journal_id_ASTM ? _citation.country US _citation.journal_id_ISSN 1545-9993 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 18264114 _citation.pdbx_database_id_DOI 10.1038/nsmb.1382 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Lok, S.M.' 1 ? primary 'Kostyuchenko, V.' 2 ? primary 'Nybakken, G.E.' 3 ? primary 'Holdaway, H.A.' 4 ? primary 'Battisti, A.J.' 5 ? primary 'Sukupolvi-Petty, S.' 6 ? primary 'Sedlak, D.' 7 ? primary 'Fremont, D.H.' 8 ? primary 'Chipman, P.R.' 9 ? primary 'Roehrig, J.T.' 10 ? primary 'Diamond, M.S.' 11 ? primary 'Kuhn, R.J.' 12 ? primary 'Rossmann, M.G.' 13 ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Major envelope protein E' 10932.665 1 ? ? ? ? 2 polymer man 'Heavy chain of 1A1D-2' 22926.557 1 ? ? Fab ? 3 polymer man 'Light chain of 1A1D-2' 23412.869 1 ? ? Fab ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;SYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSY IIIGVEPGQLKLNWFKK ; ;SYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSY IIIGVEPGQLKLNWFKK ; A ? 2 'polypeptide(L)' no no ;EVQLQQSGAELVKPGASVKLSCTASGFNIKDTYMHWVKQRPEQGLEWIGRIDPANGYSKYDPKFQGKATITADTSSNAAY LQLSSLTSEDTAVYFCARDYEGFAYWGQGTLVTVSSAKTTPPSVYPLAPGAATSSSVTLGCLVKGYFPEPVTLTWNSGSL SSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQTITCNVAHPASSTKVDKKIEPR ; ;EVQLQQSGAELVKPGASVKLSCTASGFNIKDTYMHWVKQRPEQGLEWIGRIDPANGYSKYDPKFQGKATITADTSSNAAY LQLSSLTSEDTAVYFCARDYEGFAYWGQGTLVTVSSAKTTPPSVYPLAPGAATSSSVTLGCLVKGYFPEPVTLTWNSGSL SSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQTITCNVAHPASSTKVDKKIEPR ; H ? 3 'polypeptide(L)' no no ;DIVLTQSPASLAVSLGQRATISCRASESVVRYGNSFMHWYQQKPGQPPKLLIYRASSLESGIPTRFSGSGSRTDFTLTIN PVEADDVATYYCQQTNVDPWAFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQ NGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATSPIVKSFNRNE ; ;DIVLTQSPASLAVSLGQRATISCRASESVVRYGNSFMHWYQQKPGQPPKLLIYRASSLESGIPTRFSGSGSRTDFTLTIN PVEADDVATYYCQQTNVDPWAFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQ NGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATSPIVKSFNRNE ; L ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 TYR n 1 3 SER n 1 4 MET n 1 5 CYS n 1 6 THR n 1 7 GLY n 1 8 LYS n 1 9 PHE n 1 10 LYS n 1 11 VAL n 1 12 VAL n 1 13 LYS n 1 14 GLU n 1 15 ILE n 1 16 ALA n 1 17 GLU n 1 18 THR n 1 19 GLN n 1 20 HIS n 1 21 GLY n 1 22 THR n 1 23 ILE n 1 24 VAL n 1 25 ILE n 1 26 ARG n 1 27 VAL n 1 28 GLN n 1 29 TYR n 1 30 GLU n 1 31 GLY n 1 32 ASP n 1 33 GLY n 1 34 SER n 1 35 PRO n 1 36 CYS n 1 37 LYS n 1 38 ILE n 1 39 PRO n 1 40 PHE n 1 41 GLU n 1 42 ILE n 1 43 MET n 1 44 ASP n 1 45 LEU n 1 46 GLU n 1 47 LYS n 1 48 ARG n 1 49 HIS n 1 50 VAL n 1 51 LEU n 1 52 GLY n 1 53 ARG n 1 54 LEU n 1 55 ILE n 1 56 THR n 1 57 VAL n 1 58 ASN n 1 59 PRO n 1 60 ILE n 1 61 VAL n 1 62 THR n 1 63 GLU n 1 64 LYS n 1 65 ASP n 1 66 SER n 1 67 PRO n 1 68 VAL n 1 69 ASN n 1 70 ILE n 1 71 GLU n 1 72 ALA n 1 73 GLU n 1 74 PRO n 1 75 PRO n 1 76 PHE n 1 77 GLY n 1 78 ASP n 1 79 SER n 1 80 TYR n 1 81 ILE n 1 82 ILE n 1 83 ILE n 1 84 GLY n 1 85 VAL n 1 86 GLU n 1 87 PRO n 1 88 GLY n 1 89 GLN n 1 90 LEU n 1 91 LYS n 1 92 LEU n 1 93 ASN n 1 94 TRP n 1 95 PHE n 1 96 LYS n 1 97 LYS n 2 1 GLU n 2 2 VAL n 2 3 GLN n 2 4 LEU n 2 5 GLN n 2 6 GLN n 2 7 SER n 2 8 GLY n 2 9 ALA n 2 10 GLU n 2 11 LEU n 2 12 VAL n 2 13 LYS n 2 14 PRO n 2 15 GLY n 2 16 ALA n 2 17 SER n 2 18 VAL n 2 19 LYS n 2 20 LEU n 2 21 SER n 2 22 CYS n 2 23 THR n 2 24 ALA n 2 25 SER n 2 26 GLY n 2 27 PHE n 2 28 ASN n 2 29 ILE n 2 30 LYS n 2 31 ASP n 2 32 THR n 2 33 TYR n 2 34 MET n 2 35 HIS n 2 36 TRP n 2 37 VAL n 2 38 LYS n 2 39 GLN n 2 40 ARG n 2 41 PRO n 2 42 GLU n 2 43 GLN n 2 44 GLY n 2 45 LEU n 2 46 GLU n 2 47 TRP n 2 48 ILE n 2 49 GLY n 2 50 ARG n 2 51 ILE n 2 52 ASP n 2 53 PRO n 2 54 ALA n 2 55 ASN n 2 56 GLY n 2 57 TYR n 2 58 SER n 2 59 LYS n 2 60 TYR n 2 61 ASP n 2 62 PRO n 2 63 LYS n 2 64 PHE n 2 65 GLN n 2 66 GLY n 2 67 LYS n 2 68 ALA n 2 69 THR n 2 70 ILE n 2 71 THR n 2 72 ALA n 2 73 ASP n 2 74 THR n 2 75 SER n 2 76 SER n 2 77 ASN n 2 78 ALA n 2 79 ALA n 2 80 TYR n 2 81 LEU n 2 82 GLN n 2 83 LEU n 2 84 SER n 2 85 SER n 2 86 LEU n 2 87 THR n 2 88 SER n 2 89 GLU n 2 90 ASP n 2 91 THR n 2 92 ALA n 2 93 VAL n 2 94 TYR n 2 95 PHE n 2 96 CYS n 2 97 ALA n 2 98 ARG n 2 99 ASP n 2 100 TYR n 2 101 GLU n 2 102 GLY n 2 103 PHE n 2 104 ALA n 2 105 TYR n 2 106 TRP n 2 107 GLY n 2 108 GLN n 2 109 GLY n 2 110 THR n 2 111 LEU n 2 112 VAL n 2 113 THR n 2 114 VAL n 2 115 SER n 2 116 SER n 2 117 ALA n 2 118 LYS n 2 119 THR n 2 120 THR n 2 121 PRO n 2 122 PRO n 2 123 SER n 2 124 VAL n 2 125 TYR n 2 126 PRO n 2 127 LEU n 2 128 ALA n 2 129 PRO n 2 130 GLY n 2 131 ALA n 2 132 ALA n 2 133 THR n 2 134 SER n 2 135 SER n 2 136 SER n 2 137 VAL n 2 138 THR n 2 139 LEU n 2 140 GLY n 2 141 CYS n 2 142 LEU n 2 143 VAL n 2 144 LYS n 2 145 GLY n 2 146 TYR n 2 147 PHE n 2 148 PRO n 2 149 GLU n 2 150 PRO n 2 151 VAL n 2 152 THR n 2 153 LEU n 2 154 THR n 2 155 TRP n 2 156 ASN n 2 157 SER n 2 158 GLY n 2 159 SER n 2 160 LEU n 2 161 SER n 2 162 SER n 2 163 GLY n 2 164 VAL n 2 165 HIS n 2 166 THR n 2 167 PHE n 2 168 PRO n 2 169 ALA n 2 170 VAL n 2 171 LEU n 2 172 GLN n 2 173 SER n 2 174 ASP n 2 175 LEU n 2 176 TYR n 2 177 THR n 2 178 LEU n 2 179 SER n 2 180 SER n 2 181 SER n 2 182 VAL n 2 183 THR n 2 184 VAL n 2 185 THR n 2 186 SER n 2 187 SER n 2 188 THR n 2 189 TRP n 2 190 PRO n 2 191 SER n 2 192 GLN n 2 193 THR n 2 194 ILE n 2 195 THR n 2 196 CYS n 2 197 ASN n 2 198 VAL n 2 199 ALA n 2 200 HIS n 2 201 PRO n 2 202 ALA n 2 203 SER n 2 204 SER n 2 205 THR n 2 206 LYS n 2 207 VAL n 2 208 ASP n 2 209 LYS n 2 210 LYS n 2 211 ILE n 2 212 GLU n 2 213 PRO n 2 214 ARG n 3 1 ASP n 3 2 ILE n 3 3 VAL n 3 4 LEU n 3 5 THR n 3 6 GLN n 3 7 SER n 3 8 PRO n 3 9 ALA n 3 10 SER n 3 11 LEU n 3 12 ALA n 3 13 VAL n 3 14 SER n 3 15 LEU n 3 16 GLY n 3 17 GLN n 3 18 ARG n 3 19 ALA n 3 20 THR n 3 21 ILE n 3 22 SER n 3 23 CYS n 3 24 ARG n 3 25 ALA n 3 26 SER n 3 27 GLU n 3 28 SER n 3 29 VAL n 3 30 VAL n 3 31 ARG n 3 32 TYR n 3 33 GLY n 3 34 ASN n 3 35 SER n 3 36 PHE n 3 37 MET n 3 38 HIS n 3 39 TRP n 3 40 TYR n 3 41 GLN n 3 42 GLN n 3 43 LYS n 3 44 PRO n 3 45 GLY n 3 46 GLN n 3 47 PRO n 3 48 PRO n 3 49 LYS n 3 50 LEU n 3 51 LEU n 3 52 ILE n 3 53 TYR n 3 54 ARG n 3 55 ALA n 3 56 SER n 3 57 SER n 3 58 LEU n 3 59 GLU n 3 60 SER n 3 61 GLY n 3 62 ILE n 3 63 PRO n 3 64 THR n 3 65 ARG n 3 66 PHE n 3 67 SER n 3 68 GLY n 3 69 SER n 3 70 GLY n 3 71 SER n 3 72 ARG n 3 73 THR n 3 74 ASP n 3 75 PHE n 3 76 THR n 3 77 LEU n 3 78 THR n 3 79 ILE n 3 80 ASN n 3 81 PRO n 3 82 VAL n 3 83 GLU n 3 84 ALA n 3 85 ASP n 3 86 ASP n 3 87 VAL n 3 88 ALA n 3 89 THR n 3 90 TYR n 3 91 TYR n 3 92 CYS n 3 93 GLN n 3 94 GLN n 3 95 THR n 3 96 ASN n 3 97 VAL n 3 98 ASP n 3 99 PRO n 3 100 TRP n 3 101 ALA n 3 102 PHE n 3 103 GLY n 3 104 GLY n 3 105 GLY n 3 106 THR n 3 107 LYS n 3 108 LEU n 3 109 GLU n 3 110 ILE n 3 111 LYS n 3 112 ARG n 3 113 ALA n 3 114 ASP n 3 115 ALA n 3 116 ALA n 3 117 PRO n 3 118 THR n 3 119 VAL n 3 120 SER n 3 121 ILE n 3 122 PHE n 3 123 PRO n 3 124 PRO n 3 125 SER n 3 126 SER n 3 127 GLU n 3 128 GLN n 3 129 LEU n 3 130 THR n 3 131 SER n 3 132 GLY n 3 133 GLY n 3 134 ALA n 3 135 SER n 3 136 VAL n 3 137 VAL n 3 138 CYS n 3 139 PHE n 3 140 LEU n 3 141 ASN n 3 142 ASN n 3 143 PHE n 3 144 TYR n 3 145 PRO n 3 146 LYS n 3 147 ASP n 3 148 ILE n 3 149 ASN n 3 150 VAL n 3 151 LYS n 3 152 TRP n 3 153 LYS n 3 154 ILE n 3 155 ASP n 3 156 GLY n 3 157 SER n 3 158 GLU n 3 159 ARG n 3 160 GLN n 3 161 ASN n 3 162 GLY n 3 163 VAL n 3 164 LEU n 3 165 ASN n 3 166 SER n 3 167 TRP n 3 168 THR n 3 169 ASP n 3 170 GLN n 3 171 ASP n 3 172 SER n 3 173 LYS n 3 174 ASP n 3 175 SER n 3 176 THR n 3 177 TYR n 3 178 SER n 3 179 MET n 3 180 SER n 3 181 SER n 3 182 THR n 3 183 LEU n 3 184 THR n 3 185 LEU n 3 186 THR n 3 187 LYS n 3 188 ASP n 3 189 GLU n 3 190 TYR n 3 191 GLU n 3 192 ARG n 3 193 HIS n 3 194 ASN n 3 195 SER n 3 196 TYR n 3 197 THR n 3 198 CYS n 3 199 GLU n 3 200 ALA n 3 201 THR n 3 202 SER n 3 203 PRO n 3 204 ILE n 3 205 VAL n 3 206 LYS n 3 207 SER n 3 208 PHE n 3 209 ASN n 3 210 ARG n 3 211 ASN n 3 212 GLU n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? ? Flavivirus 'E protein' 'Dengue virus' 16681 ? ? ? ? 'Dengue virus 2 Thailand/16681/84' 31634 ? ? ? ? ? ? ? ? 'Escherichia coli BL21(DE3)' 469008 Escherichia ? ? 'Escherichia coli' ? ? 'BL21(DE3)' ? ? ? ? ? ? ? plasmid ? ? ? pET21 ? ? 2 1 sample ? ? ? 'house mouse' Mus immunoglobulin ? Balbc ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? hybridoma ? ? ? ? ? ? ? ? ? ? ? ? 3 1 sample ? ? ? 'house mouse' Mus immunoglobulin ? balbc ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? hybridoma ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 298 298 SER SER A . n A 1 2 TYR 2 299 299 TYR TYR A . n A 1 3 SER 3 300 300 SER SER A . n A 1 4 MET 4 301 301 MET MET A . n A 1 5 CYS 5 302 302 CYS CYS A . n A 1 6 THR 6 303 303 THR THR A . n A 1 7 GLY 7 304 304 GLY GLY A . n A 1 8 LYS 8 305 305 LYS LYS A . n A 1 9 PHE 9 306 306 PHE PHE A . n A 1 10 LYS 10 307 307 LYS LYS A . n A 1 11 VAL 11 308 308 VAL VAL A . n A 1 12 VAL 12 309 309 VAL VAL A . n A 1 13 LYS 13 310 310 LYS LYS A . n A 1 14 GLU 14 311 311 GLU GLU A . n A 1 15 ILE 15 312 312 ILE ILE A . n A 1 16 ALA 16 313 313 ALA ALA A . n A 1 17 GLU 17 314 314 GLU GLU A . n A 1 18 THR 18 315 315 THR THR A . n A 1 19 GLN 19 316 316 GLN GLN A . n A 1 20 HIS 20 317 317 HIS HIS A . n A 1 21 GLY 21 318 318 GLY GLY A . n A 1 22 THR 22 319 319 THR THR A . n A 1 23 ILE 23 320 320 ILE ILE A . n A 1 24 VAL 24 321 321 VAL VAL A . n A 1 25 ILE 25 322 322 ILE ILE A . n A 1 26 ARG 26 323 323 ARG ARG A . n A 1 27 VAL 27 324 324 VAL VAL A . n A 1 28 GLN 28 325 325 GLN GLN A . n A 1 29 TYR 29 326 326 TYR TYR A . n A 1 30 GLU 30 327 327 GLU GLU A . n A 1 31 GLY 31 328 328 GLY GLY A . n A 1 32 ASP 32 329 329 ASP ASP A . n A 1 33 GLY 33 330 330 GLY GLY A . n A 1 34 SER 34 331 331 SER SER A . n A 1 35 PRO 35 332 332 PRO PRO A . n A 1 36 CYS 36 333 333 CYS CYS A . n A 1 37 LYS 37 334 334 LYS LYS A . n A 1 38 ILE 38 335 335 ILE ILE A . n A 1 39 PRO 39 336 336 PRO PRO A . n A 1 40 PHE 40 337 337 PHE PHE A . n A 1 41 GLU 41 338 338 GLU GLU A . n A 1 42 ILE 42 339 339 ILE ILE A . n A 1 43 MET 43 340 340 MET MET A . n A 1 44 ASP 44 341 341 ASP ASP A . n A 1 45 LEU 45 342 342 LEU LEU A . n A 1 46 GLU 46 343 343 GLU GLU A . n A 1 47 LYS 47 344 344 LYS LYS A . n A 1 48 ARG 48 345 345 ARG ARG A . n A 1 49 HIS 49 346 346 HIS HIS A . n A 1 50 VAL 50 347 347 VAL VAL A . n A 1 51 LEU 51 348 348 LEU LEU A . n A 1 52 GLY 52 349 349 GLY GLY A . n A 1 53 ARG 53 350 350 ARG ARG A . n A 1 54 LEU 54 351 351 LEU LEU A . n A 1 55 ILE 55 352 352 ILE ILE A . n A 1 56 THR 56 353 353 THR THR A . n A 1 57 VAL 57 354 354 VAL VAL A . n A 1 58 ASN 58 355 355 ASN ASN A . n A 1 59 PRO 59 356 356 PRO PRO A . n A 1 60 ILE 60 357 357 ILE ILE A . n A 1 61 VAL 61 358 358 VAL VAL A . n A 1 62 THR 62 359 359 THR THR A . n A 1 63 GLU 63 360 360 GLU GLU A . n A 1 64 LYS 64 361 361 LYS LYS A . n A 1 65 ASP 65 362 362 ASP ASP A . n A 1 66 SER 66 363 363 SER SER A . n A 1 67 PRO 67 364 364 PRO PRO A . n A 1 68 VAL 68 365 365 VAL VAL A . n A 1 69 ASN 69 366 366 ASN ASN A . n A 1 70 ILE 70 367 367 ILE ILE A . n A 1 71 GLU 71 368 368 GLU GLU A . n A 1 72 ALA 72 369 369 ALA ALA A . n A 1 73 GLU 73 370 370 GLU GLU A . n A 1 74 PRO 74 371 371 PRO PRO A . n A 1 75 PRO 75 372 372 PRO PRO A . n A 1 76 PHE 76 373 373 PHE PHE A . n A 1 77 GLY 77 374 374 GLY GLY A . n A 1 78 ASP 78 375 375 ASP ASP A . n A 1 79 SER 79 376 376 SER SER A . n A 1 80 TYR 80 377 377 TYR TYR A . n A 1 81 ILE 81 378 378 ILE ILE A . n A 1 82 ILE 82 379 379 ILE ILE A . n A 1 83 ILE 83 380 380 ILE ILE A . n A 1 84 GLY 84 381 381 GLY GLY A . n A 1 85 VAL 85 382 382 VAL VAL A . n A 1 86 GLU 86 383 383 GLU GLU A . n A 1 87 PRO 87 384 384 PRO PRO A . n A 1 88 GLY 88 385 385 GLY GLY A . n A 1 89 GLN 89 386 386 GLN GLN A . n A 1 90 LEU 90 387 387 LEU LEU A . n A 1 91 LYS 91 388 388 LYS LYS A . n A 1 92 LEU 92 389 389 LEU LEU A . n A 1 93 ASN 93 390 390 ASN ASN A . n A 1 94 TRP 94 391 391 TRP TRP A . n A 1 95 PHE 95 392 392 PHE PHE A . n A 1 96 LYS 96 393 393 LYS LYS A . n A 1 97 LYS 97 394 394 LYS LYS A . n B 2 1 GLU 1 1 1 GLU GLU H . n B 2 2 VAL 2 2 2 VAL VAL H . n B 2 3 GLN 3 3 3 GLN GLN H . n B 2 4 LEU 4 4 4 LEU LEU H . n B 2 5 GLN 5 5 5 GLN GLN H . n B 2 6 GLN 6 6 6 GLN GLN H . n B 2 7 SER 7 7 7 SER SER H . n B 2 8 GLY 8 8 8 GLY GLY H . n B 2 9 ALA 9 9 9 ALA ALA H . n B 2 10 GLU 10 10 10 GLU GLU H . n B 2 11 LEU 11 11 11 LEU LEU H . n B 2 12 VAL 12 12 12 VAL VAL H . n B 2 13 LYS 13 13 13 LYS LYS H . n B 2 14 PRO 14 14 14 PRO PRO H . n B 2 15 GLY 15 15 15 GLY GLY H . n B 2 16 ALA 16 16 16 ALA ALA H . n B 2 17 SER 17 17 17 SER SER H . n B 2 18 VAL 18 18 18 VAL VAL H . n B 2 19 LYS 19 19 19 LYS LYS H . n B 2 20 LEU 20 20 20 LEU LEU H . n B 2 21 SER 21 21 21 SER SER H . n B 2 22 CYS 22 22 22 CYS CYS H . n B 2 23 THR 23 23 23 THR THR H . n B 2 24 ALA 24 24 24 ALA ALA H . n B 2 25 SER 25 25 25 SER SER H . n B 2 26 GLY 26 26 26 GLY GLY H . n B 2 27 PHE 27 27 27 PHE PHE H . n B 2 28 ASN 28 28 28 ASN ASN H . n B 2 29 ILE 29 29 29 ILE ILE H . n B 2 30 LYS 30 30 30 LYS LYS H . n B 2 31 ASP 31 31 31 ASP ASP H . n B 2 32 THR 32 32 32 THR THR H . n B 2 33 TYR 33 33 33 TYR TYR H . n B 2 34 MET 34 34 34 MET MET H . n B 2 35 HIS 35 35 35 HIS HIS H . n B 2 36 TRP 36 36 36 TRP TRP H . n B 2 37 VAL 37 37 37 VAL VAL H . n B 2 38 LYS 38 38 38 LYS LYS H . n B 2 39 GLN 39 39 39 GLN GLN H . n B 2 40 ARG 40 40 40 ARG ARG H . n B 2 41 PRO 41 41 41 PRO PRO H . n B 2 42 GLU 42 42 42 GLU GLU H . n B 2 43 GLN 43 43 43 GLN GLN H . n B 2 44 GLY 44 44 44 GLY GLY H . n B 2 45 LEU 45 45 45 LEU LEU H . n B 2 46 GLU 46 46 46 GLU GLU H . n B 2 47 TRP 47 47 47 TRP TRP H . n B 2 48 ILE 48 48 48 ILE ILE H . n B 2 49 GLY 49 49 49 GLY GLY H . n B 2 50 ARG 50 50 50 ARG ARG H . n B 2 51 ILE 51 51 51 ILE ILE H . n B 2 52 ASP 52 52 52 ASP ASP H . n B 2 53 PRO 53 53 53 PRO PRO H . n B 2 54 ALA 54 54 54 ALA ALA H . n B 2 55 ASN 55 55 55 ASN ASN H . n B 2 56 GLY 56 56 56 GLY GLY H . n B 2 57 TYR 57 57 57 TYR TYR H . n B 2 58 SER 58 58 58 SER SER H . n B 2 59 LYS 59 59 59 LYS LYS H . n B 2 60 TYR 60 60 60 TYR TYR H . n B 2 61 ASP 61 61 61 ASP ASP H . n B 2 62 PRO 62 62 62 PRO PRO H . n B 2 63 LYS 63 63 63 LYS LYS H . n B 2 64 PHE 64 64 64 PHE PHE H . n B 2 65 GLN 65 65 65 GLN GLN H . n B 2 66 GLY 66 66 66 GLY GLY H . n B 2 67 LYS 67 67 67 LYS LYS H . n B 2 68 ALA 68 68 68 ALA ALA H . n B 2 69 THR 69 69 69 THR THR H . n B 2 70 ILE 70 70 70 ILE ILE H . n B 2 71 THR 71 71 71 THR THR H . n B 2 72 ALA 72 72 72 ALA ALA H . n B 2 73 ASP 73 73 73 ASP ASP H . n B 2 74 THR 74 74 74 THR THR H . n B 2 75 SER 75 75 75 SER SER H . n B 2 76 SER 76 76 76 SER SER H . n B 2 77 ASN 77 77 77 ASN ASN H . n B 2 78 ALA 78 78 78 ALA ALA H . n B 2 79 ALA 79 79 79 ALA ALA H . n B 2 80 TYR 80 80 80 TYR TYR H . n B 2 81 LEU 81 81 81 LEU LEU H . n B 2 82 GLN 82 82 82 GLN GLN H . n B 2 83 LEU 83 83 83 LEU LEU H . n B 2 84 SER 84 84 84 SER SER H . n B 2 85 SER 85 85 85 SER SER H . n B 2 86 LEU 86 86 86 LEU LEU H . n B 2 87 THR 87 87 87 THR THR H . n B 2 88 SER 88 88 88 SER SER H . n B 2 89 GLU 89 89 89 GLU GLU H . n B 2 90 ASP 90 90 90 ASP ASP H . n B 2 91 THR 91 91 91 THR THR H . n B 2 92 ALA 92 92 92 ALA ALA H . n B 2 93 VAL 93 93 93 VAL VAL H . n B 2 94 TYR 94 94 94 TYR TYR H . n B 2 95 PHE 95 95 95 PHE PHE H . n B 2 96 CYS 96 96 96 CYS CYS H . n B 2 97 ALA 97 97 97 ALA ALA H . n B 2 98 ARG 98 98 98 ARG ARG H . n B 2 99 ASP 99 99 99 ASP ASP H . n B 2 100 TYR 100 100 100 TYR TYR H . n B 2 101 GLU 101 101 101 GLU GLU H . n B 2 102 GLY 102 102 102 GLY GLY H . n B 2 103 PHE 103 103 103 PHE PHE H . n B 2 104 ALA 104 104 104 ALA ALA H . n B 2 105 TYR 105 105 105 TYR TYR H . n B 2 106 TRP 106 106 106 TRP TRP H . n B 2 107 GLY 107 107 107 GLY GLY H . n B 2 108 GLN 108 108 ? ? ? H . n B 2 109 GLY 109 109 ? ? ? H . n B 2 110 THR 110 110 ? ? ? H . n B 2 111 LEU 111 111 111 LEU LEU H . n B 2 112 VAL 112 112 112 VAL VAL H . n B 2 113 THR 113 113 113 THR THR H . n B 2 114 VAL 114 114 114 VAL VAL H . n B 2 115 SER 115 115 115 SER SER H . n B 2 116 SER 116 116 116 SER SER H . n B 2 117 ALA 117 117 117 ALA ALA H . n B 2 118 LYS 118 118 118 LYS LYS H . n B 2 119 THR 119 119 119 THR THR H . n B 2 120 THR 120 120 120 THR THR H . n B 2 121 PRO 121 121 121 PRO PRO H . n B 2 122 PRO 122 122 122 PRO PRO H . n B 2 123 SER 123 123 123 SER SER H . n B 2 124 VAL 124 124 124 VAL VAL H . n B 2 125 TYR 125 125 125 TYR TYR H . n B 2 126 PRO 126 126 126 PRO PRO H . n B 2 127 LEU 127 127 127 LEU LEU H . n B 2 128 ALA 128 128 128 ALA ALA H . n B 2 129 PRO 129 129 129 PRO PRO H . n B 2 130 GLY 130 130 130 GLY GLY H . n B 2 131 ALA 131 131 131 ALA ALA H . n B 2 132 ALA 132 132 132 ALA ALA H . n B 2 133 THR 133 135 ? ? ? H . n B 2 134 SER 134 136 ? ? ? H . n B 2 135 SER 135 137 ? ? ? H . n B 2 136 SER 136 138 ? ? ? H . n B 2 137 VAL 137 139 139 VAL VAL H . n B 2 138 THR 138 140 140 THR THR H . n B 2 139 LEU 139 141 141 LEU LEU H . n B 2 140 GLY 140 142 142 GLY GLY H . n B 2 141 CYS 141 143 143 CYS CYS H . n B 2 142 LEU 142 144 144 LEU LEU H . n B 2 143 VAL 143 145 145 VAL VAL H . n B 2 144 LYS 144 146 146 LYS LYS H . n B 2 145 GLY 145 147 147 GLY GLY H . n B 2 146 TYR 146 148 148 TYR TYR H . n B 2 147 PHE 147 149 149 PHE PHE H . n B 2 148 PRO 148 150 150 PRO PRO H . n B 2 149 GLU 149 151 151 GLU GLU H . n B 2 150 PRO 150 152 152 PRO PRO H . n B 2 151 VAL 151 153 153 VAL VAL H . n B 2 152 THR 152 154 154 THR THR H . n B 2 153 LEU 153 155 155 LEU LEU H . n B 2 154 THR 154 156 156 THR THR H . n B 2 155 TRP 155 157 157 TRP TRP H . n B 2 156 ASN 156 158 158 ASN ASN H . n B 2 157 SER 157 159 159 SER SER H . n B 2 158 GLY 158 160 160 GLY GLY H . n B 2 159 SER 159 161 161 SER SER H . n B 2 160 LEU 160 162 162 LEU LEU H . n B 2 161 SER 161 163 163 SER SER H . n B 2 162 SER 162 164 164 SER SER H . n B 2 163 GLY 163 165 165 GLY GLY H . n B 2 164 VAL 164 166 166 VAL VAL H . n B 2 165 HIS 165 167 167 HIS HIS H . n B 2 166 THR 166 168 168 THR THR H . n B 2 167 PHE 167 169 169 PHE PHE H . n B 2 168 PRO 168 170 170 PRO PRO H . n B 2 169 ALA 169 171 171 ALA ALA H . n B 2 170 VAL 170 172 172 VAL VAL H . n B 2 171 LEU 171 173 173 LEU LEU H . n B 2 172 GLN 172 174 174 GLN GLN H . n B 2 173 SER 173 175 175 SER SER H . n B 2 174 ASP 174 176 176 ASP ASP H . n B 2 175 LEU 175 177 177 LEU LEU H . n B 2 176 TYR 176 178 178 TYR TYR H . n B 2 177 THR 177 179 179 THR THR H . n B 2 178 LEU 178 180 180 LEU LEU H . n B 2 179 SER 179 181 181 SER SER H . n B 2 180 SER 180 182 182 SER SER H . n B 2 181 SER 181 183 183 SER SER H . n B 2 182 VAL 182 184 184 VAL VAL H . n B 2 183 THR 183 185 185 THR THR H . n B 2 184 VAL 184 186 186 VAL VAL H . n B 2 185 THR 185 187 187 THR THR H . n B 2 186 SER 186 188 188 SER SER H . n B 2 187 SER 187 189 189 SER SER H . n B 2 188 THR 188 190 190 THR THR H . n B 2 189 TRP 189 191 191 TRP TRP H . n B 2 190 PRO 190 192 192 PRO PRO H . n B 2 191 SER 191 193 ? ? ? H . n B 2 192 GLN 192 194 ? ? ? H . n B 2 193 THR 193 195 195 THR THR H . n B 2 194 ILE 194 196 196 ILE ILE H . n B 2 195 THR 195 197 197 THR THR H . n B 2 196 CYS 196 198 198 CYS CYS H . n B 2 197 ASN 197 199 199 ASN ASN H . n B 2 198 VAL 198 200 200 VAL VAL H . n B 2 199 ALA 199 201 201 ALA ALA H . n B 2 200 HIS 200 202 202 HIS HIS H . n B 2 201 PRO 201 203 203 PRO PRO H . n B 2 202 ALA 202 204 204 ALA ALA H . n B 2 203 SER 203 205 205 SER SER H . n B 2 204 SER 204 206 206 SER SER H . n B 2 205 THR 205 207 207 THR THR H . n B 2 206 LYS 206 208 208 LYS LYS H . n B 2 207 VAL 207 209 209 VAL VAL H . n B 2 208 ASP 208 210 210 ASP ASP H . n B 2 209 LYS 209 211 211 LYS LYS H . n B 2 210 LYS 210 212 212 LYS LYS H . n B 2 211 ILE 211 213 213 ILE ILE H . n B 2 212 GLU 212 214 214 GLU GLU H . n B 2 213 PRO 213 215 ? ? ? H . n B 2 214 ARG 214 216 ? ? ? H . n C 3 1 ASP 1 1 1 ASP ASP L . n C 3 2 ILE 2 2 2 ILE ILE L . n C 3 3 VAL 3 3 3 VAL VAL L . n C 3 4 LEU 4 4 4 LEU LEU L . n C 3 5 THR 5 5 5 THR THR L . n C 3 6 GLN 6 6 6 GLN GLN L . n C 3 7 SER 7 7 7 SER SER L . n C 3 8 PRO 8 8 8 PRO PRO L . n C 3 9 ALA 9 9 9 ALA ALA L . n C 3 10 SER 10 10 10 SER SER L . n C 3 11 LEU 11 11 11 LEU LEU L . n C 3 12 ALA 12 12 12 ALA ALA L . n C 3 13 VAL 13 13 13 VAL VAL L . n C 3 14 SER 14 14 14 SER SER L . n C 3 15 LEU 15 15 15 LEU LEU L . n C 3 16 GLY 16 16 16 GLY GLY L . n C 3 17 GLN 17 17 17 GLN GLN L . n C 3 18 ARG 18 18 18 ARG ARG L . n C 3 19 ALA 19 19 19 ALA ALA L . n C 3 20 THR 20 20 20 THR THR L . n C 3 21 ILE 21 21 21 ILE ILE L . n C 3 22 SER 22 22 22 SER SER L . n C 3 23 CYS 23 23 23 CYS CYS L . n C 3 24 ARG 24 24 24 ARG ARG L . n C 3 25 ALA 25 25 25 ALA ALA L . n C 3 26 SER 26 26 26 SER SER L . n C 3 27 GLU 27 27 27 GLU GLU L . n C 3 28 SER 28 28 28 SER SER L . n C 3 29 VAL 29 29 29 VAL VAL L . n C 3 30 VAL 30 30 30 VAL VAL L . n C 3 31 ARG 31 31 31 ARG ARG L . n C 3 32 TYR 32 32 32 TYR TYR L . n C 3 33 GLY 33 33 33 GLY GLY L . n C 3 34 ASN 34 34 34 ASN ASN L . n C 3 35 SER 35 35 35 SER SER L . n C 3 36 PHE 36 36 36 PHE PHE L . n C 3 37 MET 37 37 37 MET MET L . n C 3 38 HIS 38 38 38 HIS HIS L . n C 3 39 TRP 39 39 39 TRP TRP L . n C 3 40 TYR 40 40 40 TYR TYR L . n C 3 41 GLN 41 41 41 GLN GLN L . n C 3 42 GLN 42 42 42 GLN GLN L . n C 3 43 LYS 43 43 43 LYS LYS L . n C 3 44 PRO 44 44 44 PRO PRO L . n C 3 45 GLY 45 45 45 GLY GLY L . n C 3 46 GLN 46 46 46 GLN GLN L . n C 3 47 PRO 47 47 47 PRO PRO L . n C 3 48 PRO 48 48 48 PRO PRO L . n C 3 49 LYS 49 49 49 LYS LYS L . n C 3 50 LEU 50 50 50 LEU LEU L . n C 3 51 LEU 51 51 51 LEU LEU L . n C 3 52 ILE 52 52 52 ILE ILE L . n C 3 53 TYR 53 53 53 TYR TYR L . n C 3 54 ARG 54 54 54 ARG ARG L . n C 3 55 ALA 55 55 55 ALA ALA L . n C 3 56 SER 56 56 56 SER SER L . n C 3 57 SER 57 57 57 SER SER L . n C 3 58 LEU 58 58 58 LEU LEU L . n C 3 59 GLU 59 59 59 GLU GLU L . n C 3 60 SER 60 60 60 SER SER L . n C 3 61 GLY 61 61 61 GLY GLY L . n C 3 62 ILE 62 62 62 ILE ILE L . n C 3 63 PRO 63 63 63 PRO PRO L . n C 3 64 THR 64 64 64 THR THR L . n C 3 65 ARG 65 65 65 ARG ARG L . n C 3 66 PHE 66 66 66 PHE PHE L . n C 3 67 SER 67 67 67 SER SER L . n C 3 68 GLY 68 68 68 GLY GLY L . n C 3 69 SER 69 69 69 SER SER L . n C 3 70 GLY 70 70 70 GLY GLY L . n C 3 71 SER 71 71 71 SER SER L . n C 3 72 ARG 72 72 72 ARG ARG L . n C 3 73 THR 73 73 73 THR THR L . n C 3 74 ASP 74 74 74 ASP ASP L . n C 3 75 PHE 75 75 75 PHE PHE L . n C 3 76 THR 76 76 76 THR THR L . n C 3 77 LEU 77 77 77 LEU LEU L . n C 3 78 THR 78 78 78 THR THR L . n C 3 79 ILE 79 79 79 ILE ILE L . n C 3 80 ASN 80 80 80 ASN ASN L . n C 3 81 PRO 81 81 81 PRO PRO L . n C 3 82 VAL 82 82 82 VAL VAL L . n C 3 83 GLU 83 83 83 GLU GLU L . n C 3 84 ALA 84 84 84 ALA ALA L . n C 3 85 ASP 85 85 85 ASP ASP L . n C 3 86 ASP 86 86 86 ASP ASP L . n C 3 87 VAL 87 87 87 VAL VAL L . n C 3 88 ALA 88 88 88 ALA ALA L . n C 3 89 THR 89 89 89 THR THR L . n C 3 90 TYR 90 90 90 TYR TYR L . n C 3 91 TYR 91 91 91 TYR TYR L . n C 3 92 CYS 92 92 92 CYS CYS L . n C 3 93 GLN 93 93 93 GLN GLN L . n C 3 94 GLN 94 94 94 GLN GLN L . n C 3 95 THR 95 95 95 THR THR L . n C 3 96 ASN 96 96 96 ASN ASN L . n C 3 97 VAL 97 97 97 VAL VAL L . n C 3 98 ASP 98 98 98 ASP ASP L . n C 3 99 PRO 99 99 99 PRO PRO L . n C 3 100 TRP 100 100 100 TRP TRP L . n C 3 101 ALA 101 101 101 ALA ALA L . n C 3 102 PHE 102 102 102 PHE PHE L . n C 3 103 GLY 103 103 103 GLY GLY L . n C 3 104 GLY 104 104 104 GLY GLY L . n C 3 105 GLY 105 105 105 GLY GLY L . n C 3 106 THR 106 106 106 THR THR L . n C 3 107 LYS 107 107 107 LYS LYS L . n C 3 108 LEU 108 108 108 LEU LEU L . n C 3 109 GLU 109 109 109 GLU GLU L . n C 3 110 ILE 110 110 110 ILE ILE L . n C 3 111 LYS 111 111 111 LYS LYS L . n C 3 112 ARG 112 112 112 ARG ARG L . n C 3 113 ALA 113 113 113 ALA ALA L . n C 3 114 ASP 114 114 114 ASP ASP L . n C 3 115 ALA 115 115 115 ALA ALA L . n C 3 116 ALA 116 116 116 ALA ALA L . n C 3 117 PRO 117 117 117 PRO PRO L . n C 3 118 THR 118 118 118 THR THR L . n C 3 119 VAL 119 119 119 VAL VAL L . n C 3 120 SER 120 120 120 SER SER L . n C 3 121 ILE 121 121 121 ILE ILE L . n C 3 122 PHE 122 122 122 PHE PHE L . n C 3 123 PRO 123 123 123 PRO PRO L . n C 3 124 PRO 124 124 124 PRO PRO L . n C 3 125 SER 125 125 125 SER SER L . n C 3 126 SER 126 126 126 SER SER L . n C 3 127 GLU 127 127 127 GLU GLU L . n C 3 128 GLN 128 128 128 GLN GLN L . n C 3 129 LEU 129 129 129 LEU LEU L . n C 3 130 THR 130 130 130 THR THR L . n C 3 131 SER 131 131 131 SER SER L . n C 3 132 GLY 132 132 132 GLY GLY L . n C 3 133 GLY 133 133 133 GLY GLY L . n C 3 134 ALA 134 134 134 ALA ALA L . n C 3 135 SER 135 135 135 SER SER L . n C 3 136 VAL 136 136 136 VAL VAL L . n C 3 137 VAL 137 137 137 VAL VAL L . n C 3 138 CYS 138 138 138 CYS CYS L . n C 3 139 PHE 139 139 139 PHE PHE L . n C 3 140 LEU 140 140 140 LEU LEU L . n C 3 141 ASN 141 141 141 ASN ASN L . n C 3 142 ASN 142 142 142 ASN ASN L . n C 3 143 PHE 143 143 143 PHE PHE L . n C 3 144 TYR 144 144 144 TYR TYR L . n C 3 145 PRO 145 145 145 PRO PRO L . n C 3 146 LYS 146 146 146 LYS LYS L . n C 3 147 ASP 147 147 147 ASP ASP L . n C 3 148 ILE 148 148 148 ILE ILE L . n C 3 149 ASN 149 149 149 ASN ASN L . n C 3 150 VAL 150 150 150 VAL VAL L . n C 3 151 LYS 151 151 151 LYS LYS L . n C 3 152 TRP 152 152 152 TRP TRP L . n C 3 153 LYS 153 153 153 LYS LYS L . n C 3 154 ILE 154 154 154 ILE ILE L . n C 3 155 ASP 155 155 155 ASP ASP L . n C 3 156 GLY 156 156 156 GLY GLY L . n C 3 157 SER 157 157 157 SER SER L . n C 3 158 GLU 158 158 158 GLU GLU L . n C 3 159 ARG 159 159 159 ARG ARG L . n C 3 160 GLN 160 160 160 GLN GLN L . n C 3 161 ASN 161 161 161 ASN ASN L . n C 3 162 GLY 162 162 162 GLY GLY L . n C 3 163 VAL 163 163 163 VAL VAL L . n C 3 164 LEU 164 164 164 LEU LEU L . n C 3 165 ASN 165 165 165 ASN ASN L . n C 3 166 SER 166 166 166 SER SER L . n C 3 167 TRP 167 167 167 TRP TRP L . n C 3 168 THR 168 168 168 THR THR L . n C 3 169 ASP 169 169 169 ASP ASP L . n C 3 170 GLN 170 170 170 GLN GLN L . n C 3 171 ASP 171 171 171 ASP ASP L . n C 3 172 SER 172 172 172 SER SER L . n C 3 173 LYS 173 173 173 LYS LYS L . n C 3 174 ASP 174 174 174 ASP ASP L . n C 3 175 SER 175 175 175 SER SER L . n C 3 176 THR 176 176 176 THR THR L . n C 3 177 TYR 177 177 177 TYR TYR L . n C 3 178 SER 178 178 178 SER SER L . n C 3 179 MET 179 179 179 MET MET L . n C 3 180 SER 180 180 180 SER SER L . n C 3 181 SER 181 181 181 SER SER L . n C 3 182 THR 182 182 182 THR THR L . n C 3 183 LEU 183 183 183 LEU LEU L . n C 3 184 THR 184 184 184 THR THR L . n C 3 185 LEU 185 185 185 LEU LEU L . n C 3 186 THR 186 186 186 THR THR L . n C 3 187 LYS 187 187 187 LYS LYS L . n C 3 188 ASP 188 188 188 ASP ASP L . n C 3 189 GLU 189 189 189 GLU GLU L . n C 3 190 TYR 190 190 190 TYR TYR L . n C 3 191 GLU 191 191 191 GLU GLU L . n C 3 192 ARG 192 192 192 ARG ARG L . n C 3 193 HIS 193 193 193 HIS HIS L . n C 3 194 ASN 194 194 194 ASN ASN L . n C 3 195 SER 195 195 195 SER SER L . n C 3 196 TYR 196 196 196 TYR TYR L . n C 3 197 THR 197 197 197 THR THR L . n C 3 198 CYS 198 198 198 CYS CYS L . n C 3 199 GLU 199 199 199 GLU GLU L . n C 3 200 ALA 200 200 200 ALA ALA L . n C 3 201 THR 201 201 201 THR THR L . n C 3 202 SER 202 203 ? ? ? L . n C 3 203 PRO 203 204 ? ? ? L . n C 3 204 ILE 204 205 ? ? ? L . n C 3 205 VAL 205 206 ? ? ? L . n C 3 206 LYS 206 207 207 LYS LYS L . n C 3 207 SER 207 208 208 SER SER L . n C 3 208 PHE 208 209 209 PHE PHE L . n C 3 209 ASN 209 210 ? ? ? L . n C 3 210 ARG 210 211 ? ? ? L . n C 3 211 ASN 211 212 ? ? ? L . n C 3 212 GLU 212 213 ? ? ? L . n # loop_ _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id _software.pdbx_ordinal DENZO . ? package 'Zbyszek Otwinowski' zbyszek@mix.swmed.edu 'data reduction' http://www.lnls.br/infra/linhasluz/denzo-hkl.htm ? ? 1 SCALEPACK . ? package 'Zbyszek Otwinowski' zbyszek@mix.swmed.edu 'data scaling' http://www.lnls.br/infra/linhasluz/denzo-hkl.htm ? ? 2 MOLREP . ? other 'A. Vagin' alexei@ysbl.york.ac.uk phasing http://www.ccp4.ac.uk/dist/html/molrep.html Fortran_77 ? 3 CNS . ? package 'Axel T. Brunger' axel.brunger@yale.edu refinement http://cns.csb.yale.edu/v1.1/ Fortran_77 ? 4 PDB_EXTRACT 3.000 'July 2, 2007' package PDB sw-help@rcsb.rutgers.edu 'data extraction' http://pdb.rutgers.edu/software/ C++ ? 5 HKL-2000 . ? ? ? ? 'data collection' ? ? ? 6 # _cell.length_a 164.770 _cell.length_b 66.888 _cell.length_c 79.410 _cell.angle_alpha 90.000 _cell.angle_beta 113.050 _cell.angle_gamma 90.000 _cell.entry_id 2R69 _cell.pdbx_unique_axis ? _cell.Z_PDB 4 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.entry_id 2R69 _symmetry.Int_Tables_number 5 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # _exptl.crystals_number 1 _exptl.entry_id 2R69 _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 3.52 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 65.01 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.pH 5.8 _exptl_crystal_grow.temp 298 _exptl_crystal_grow.pdbx_details '12% PEG 3350, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 300 mm CCD' _diffrn_detector.pdbx_collection_date 2005-01-01 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97857 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 23-ID-D' _diffrn_source.pdbx_wavelength_list 0.97857 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 23-ID-D # _reflns.entry_id 2R69 _reflns.d_resolution_high 3.600 _reflns.d_resolution_low 50.000 _reflns.number_obs 6433 _reflns.pdbx_Rmerge_I_obs 0.118 _reflns.pdbx_netI_over_sigmaI 8.000 _reflns.pdbx_chi_squared 1.226 _reflns.pdbx_redundancy 2.300 _reflns.percent_possible_obs 68.300 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.number_all ? _reflns.pdbx_Rsym_value ? _reflns.B_iso_Wilson_estimate ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 3.60 _reflns_shell.d_res_low 3.73 _reflns_shell.number_measured_obs ? _reflns_shell.number_measured_all ? _reflns_shell.number_unique_obs ? _reflns_shell.Rmerge_I_obs 0.219 _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared 1.123 _reflns_shell.pdbx_redundancy 1.60 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 352 _reflns_shell.percent_possible_all 37.40 _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 2R69 _refine.ls_d_res_high 3.800 _refine.ls_d_res_low 20.000 _refine.pdbx_ls_sigma_F 0.00 _refine.ls_percent_reflns_obs 73.200 _refine.ls_number_reflns_obs 5817 _refine.ls_R_factor_R_work 0.313 _refine.ls_R_factor_R_free 0.363 _refine.ls_percent_reflns_R_free 8.000 _refine.ls_number_reflns_R_free 634 _refine.B_iso_mean 19.789 _refine.solvent_model_param_bsol 10.000 _refine.aniso_B[1][1] 21.736 _refine.aniso_B[2][2] -31.247 _refine.aniso_B[3][3] 9.512 _refine.aniso_B[1][2] 0.000 _refine.aniso_B[1][3] 5.545 _refine.aniso_B[2][3] 0.000 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_ls_sigma_I ? _refine.ls_number_reflns_all ? _refine.ls_R_factor_all ? _refine.ls_R_factor_obs ? _refine.ls_redundancy_reflns_obs ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_starting_model ? _refine.pdbx_ls_cross_valid_method ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_stereochemistry_target_values ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.pdbx_isotropic_thermal_model ? _refine.details ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_overall_ESU_R ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3888 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 3888 _refine_hist.d_res_high 3.800 _refine_hist.d_res_low 20.000 # _pdbx_xplor_file.serial_no 1 _pdbx_xplor_file.param_file CNS_TOPPAR:protein_rep.param _pdbx_xplor_file.topol_file ? _pdbx_xplor_file.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2R69 _struct.title 'Crystal structure of Fab 1A1D-2 complexed with E-DIII of Dengue virus at 3.8 angstrom resolution' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2R69 _struct_keywords.text ;Fab-antigen complex, Capsid protein, Cleavage on pair of basic residues, Core protein, Envelope protein, Glycoprotein, Membrane, Transmembrane, Virion, viral protein-Immune system COMPLEX ; _struct_keywords.pdbx_keywords 'viral protein/Immune system' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP POLG_DEN2U P18356 1 ;SYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSY IIIGVEPGQLKLNWFKK ; 478 ? 2 PDB 2R69 2R69 2 ;EVQLQQSGAELVKPGASVKLSCTASGFNIKDTYMHWVKQRPEQGLEWIGRIDPANGYSKYDPKFQGKATITADTSSNAAY LQLSSLTSEDTAVYFCARDYEGFAYWGQGTLVTVSSAKTTPPSVYPLAPGAATSSSVTLGCLVKGYFPEPVTLTWNSGSL SSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQTITCNVAHPASSTKVDKKIEPR ; 1 ? 3 PDB 2R69 2R69 3 ;DIVLTQSPASLAVSLGQRATISCRASESVVRYGNSFMHWYQQKPGQPPKLLIYRASSLESGIPTRFSGSGSRTDFTLTIN PVEADDVATYYCQQTNVDPWAFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQ NGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATSPIVKSFNRNE ; 1 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 2R69 A 1 ? 97 ? P18356 478 ? 574 ? 298 394 2 2 2R69 H 1 ? 214 ? 2R69 1 ? 216 ? 1 216 3 3 2R69 L 1 ? 212 ? 2R69 1 ? 213 ? 1 213 # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ASN B 28 ? THR B 32 ? ASN H 28 THR H 32 5 ? 5 HELX_P HELX_P2 2 ASP B 61 ? GLN B 65 ? ASP H 61 GLN H 65 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order _struct_conn.pdbx_role disulf1 disulf ? ? A CYS 5 SG ? ? ? 1_555 A CYS 36 SG ? ? A CYS 302 A CYS 333 1_555 ? ? ? ? ? ? ? 2.009 ? ? disulf2 disulf ? ? B CYS 22 SG ? ? ? 1_555 B CYS 96 SG ? ? H CYS 22 H CYS 96 1_555 ? ? ? ? ? ? ? 2.036 ? ? disulf3 disulf ? ? B CYS 141 SG ? ? ? 1_555 B CYS 196 SG ? ? H CYS 143 H CYS 198 1_555 ? ? ? ? ? ? ? 2.042 ? ? disulf4 disulf ? ? C CYS 23 SG ? ? ? 1_555 C CYS 92 SG ? ? L CYS 23 L CYS 92 1_555 ? ? ? ? ? ? ? 2.034 ? ? disulf5 disulf ? ? C CYS 138 SG ? ? ? 1_555 C CYS 198 SG ? ? L CYS 138 L CYS 198 1_555 ? ? ? ? ? ? ? 1.964 ? ? # _struct_conn_type.id disulf _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _pdbx_modification_feature.ordinal _pdbx_modification_feature.label_comp_id _pdbx_modification_feature.label_asym_id _pdbx_modification_feature.label_seq_id _pdbx_modification_feature.label_alt_id _pdbx_modification_feature.modified_residue_label_comp_id _pdbx_modification_feature.modified_residue_label_asym_id _pdbx_modification_feature.modified_residue_label_seq_id _pdbx_modification_feature.modified_residue_label_alt_id _pdbx_modification_feature.auth_comp_id _pdbx_modification_feature.auth_asym_id _pdbx_modification_feature.auth_seq_id _pdbx_modification_feature.PDB_ins_code _pdbx_modification_feature.symmetry _pdbx_modification_feature.modified_residue_auth_comp_id _pdbx_modification_feature.modified_residue_auth_asym_id _pdbx_modification_feature.modified_residue_auth_seq_id _pdbx_modification_feature.modified_residue_PDB_ins_code _pdbx_modification_feature.modified_residue_symmetry _pdbx_modification_feature.comp_id_linking_atom _pdbx_modification_feature.modified_residue_id_linking_atom _pdbx_modification_feature.modified_residue_id _pdbx_modification_feature.ref_pcm_id _pdbx_modification_feature.ref_comp_id _pdbx_modification_feature.type _pdbx_modification_feature.category 1 CYS A 5 ? CYS A 36 ? CYS A 302 ? 1_555 CYS A 333 ? 1_555 SG SG . . . None 'Disulfide bridge' 2 CYS B 22 ? CYS B 96 ? CYS H 22 ? 1_555 CYS H 96 ? 1_555 SG SG . . . None 'Disulfide bridge' 3 CYS B 141 ? CYS B 196 ? CYS H 143 ? 1_555 CYS H 198 ? 1_555 SG SG . . . None 'Disulfide bridge' 4 CYS C 23 ? CYS C 92 ? CYS L 23 ? 1_555 CYS L 92 ? 1_555 SG SG . . . None 'Disulfide bridge' 5 CYS C 138 ? CYS C 198 ? CYS L 138 ? 1_555 CYS L 198 ? 1_555 SG SG . . . None 'Disulfide bridge' # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 3 ? B ? 3 ? C ? 2 ? D ? 3 ? E ? 2 ? F ? 3 ? G ? 4 ? H ? 4 ? I ? 3 ? J ? 2 ? K ? 3 ? L ? 3 ? M ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel E 1 2 ? parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel J 1 2 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel M 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 LYS A 8 ? VAL A 11 ? LYS A 305 VAL A 308 A 2 ARG A 26 ? GLU A 30 ? ARG A 323 GLU A 327 A 3 VAL A 68 ? ASN A 69 ? VAL A 365 ASN A 366 B 1 GLU A 41 ? MET A 43 ? GLU A 338 MET A 340 B 2 ASP A 78 ? ILE A 82 ? ASP A 375 ILE A 379 B 3 LEU A 92 ? PHE A 95 ? LEU A 389 PHE A 392 C 1 ARG A 53 ? LEU A 54 ? ARG A 350 LEU A 351 C 2 ALA A 72 ? GLU A 73 ? ALA A 369 GLU A 370 D 1 GLN B 5 ? GLN B 6 ? GLN H 5 GLN H 6 D 2 SER B 21 ? THR B 23 ? SER H 21 THR H 23 D 3 ALA B 79 ? TYR B 80 ? ALA H 79 TYR H 80 E 1 GLU B 10 ? VAL B 12 ? GLU H 10 VAL H 12 E 2 VAL B 112 ? VAL B 114 ? VAL H 112 VAL H 114 F 1 GLU B 46 ? ILE B 51 ? GLU H 46 ILE H 51 F 2 MET B 34 ? GLN B 39 ? MET H 34 GLN H 39 F 3 VAL B 93 ? PHE B 95 ? VAL H 93 PHE H 95 G 1 SER B 123 ? LEU B 127 ? SER H 123 LEU H 127 G 2 GLY B 140 ? LYS B 144 ? GLY H 142 LYS H 146 G 3 LEU B 175 ? VAL B 182 ? LEU H 177 VAL H 184 G 4 VAL B 164 ? THR B 166 ? VAL H 166 THR H 168 H 1 SER B 123 ? LEU B 127 ? SER H 123 LEU H 127 H 2 GLY B 140 ? LYS B 144 ? GLY H 142 LYS H 146 H 3 LEU B 175 ? VAL B 182 ? LEU H 177 VAL H 184 H 4 VAL B 170 ? GLN B 172 ? VAL H 172 GLN H 174 I 1 THR B 152 ? THR B 154 ? THR H 154 THR H 156 I 2 ASN B 197 ? HIS B 200 ? ASN H 199 HIS H 202 I 3 THR B 205 ? VAL B 207 ? THR H 207 VAL H 209 J 1 ALA C 19 ? ILE C 21 ? ALA L 19 ILE L 21 J 2 LEU C 77 ? ILE C 79 ? LEU L 77 ILE L 79 K 1 LYS C 49 ? TYR C 53 ? LYS L 49 TYR L 53 K 2 MET C 37 ? GLN C 41 ? MET L 37 GLN L 41 K 3 CYS C 92 ? GLN C 94 ? CYS L 92 GLN L 94 L 1 CYS C 138 ? PHE C 143 ? CYS L 138 PHE L 143 L 2 THR C 176 ? SER C 181 ? THR L 176 SER L 181 L 3 TRP C 167 ? ASP C 171 ? TRP L 167 ASP L 171 M 1 LYS C 151 ? TRP C 152 ? LYS L 151 TRP L 152 M 2 CYS C 198 ? GLU C 199 ? CYS L 198 GLU L 199 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N LYS A 8 ? N LYS A 305 O GLU A 30 ? O GLU A 327 A 2 3 N VAL A 27 ? N VAL A 324 O VAL A 68 ? O VAL A 365 B 1 2 N MET A 43 ? N MET A 340 O TYR A 80 ? O TYR A 377 B 2 3 N ILE A 81 ? N ILE A 378 O LEU A 92 ? O LEU A 389 C 1 2 N ARG A 53 ? N ARG A 350 O GLU A 73 ? O GLU A 370 D 1 2 N GLN B 5 ? N GLN H 5 O THR B 23 ? O THR H 23 D 2 3 N CYS B 22 ? N CYS H 22 O ALA B 79 ? O ALA H 79 E 1 2 N VAL B 12 ? N VAL H 12 O THR B 113 ? O THR H 113 F 1 2 O ILE B 48 ? O ILE H 48 N TRP B 36 ? N TRP H 36 F 2 3 N VAL B 37 ? N VAL H 37 O PHE B 95 ? O PHE H 95 G 1 2 N SER B 123 ? N SER H 123 O LYS B 144 ? O LYS H 146 G 2 3 N VAL B 143 ? N VAL H 145 O LEU B 178 ? O LEU H 180 G 3 4 O SER B 181 ? O SER H 183 N HIS B 165 ? N HIS H 167 H 1 2 N SER B 123 ? N SER H 123 O LYS B 144 ? O LYS H 146 H 2 3 N VAL B 143 ? N VAL H 145 O LEU B 178 ? O LEU H 180 H 3 4 O THR B 177 ? O THR H 179 N VAL B 170 ? N VAL H 172 I 1 2 N THR B 154 ? N THR H 156 O ASN B 197 ? O ASN H 199 I 2 3 N HIS B 200 ? N HIS H 202 O THR B 205 ? O THR H 207 J 1 2 N ILE C 21 ? N ILE L 21 O LEU C 77 ? O LEU L 77 K 1 2 O LEU C 51 ? O LEU L 51 N TRP C 39 ? N TRP L 39 K 2 3 N HIS C 38 ? N HIS L 38 O GLN C 93 ? O GLN L 93 L 1 2 N CYS C 138 ? N CYS L 138 O SER C 181 ? O SER L 181 L 2 3 O THR C 176 ? O THR L 176 N ASP C 171 ? N ASP L 171 M 1 2 N LYS C 151 ? N LYS L 151 O GLU C 199 ? O GLU L 199 # _pdbx_entry_details.entry_id 2R69 _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ? _pdbx_entry_details.has_ligand_of_interest ? _pdbx_entry_details.has_protein_modification Y # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A ASP 341 ? ? O A GLU 343 ? ? 2.05 2 1 OG H SER 7 ? ? OG H SER 21 ? ? 2.06 3 1 O A ILE 335 ? ? N A PHE 337 ? ? 2.10 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 N A SER 300 ? ? CA A SER 300 ? ? C A SER 300 ? ? 128.23 111.00 17.23 2.70 N 2 1 N A MET 301 ? ? CA A MET 301 ? ? C A MET 301 ? ? 91.73 111.00 -19.27 2.70 N 3 1 N A GLU 343 ? ? CA A GLU 343 ? ? C A GLU 343 ? ? 91.31 111.00 -19.69 2.70 N 4 1 N A ARG 345 ? ? CA A ARG 345 ? ? C A ARG 345 ? ? 92.22 111.00 -18.78 2.70 N 5 1 N A PHE 373 ? ? CA A PHE 373 ? ? C A PHE 373 ? ? 131.89 111.00 20.89 2.70 N 6 1 N A VAL 382 ? ? CA A VAL 382 ? ? C A VAL 382 ? ? 91.50 111.00 -19.50 2.70 N 7 1 N H ASN 77 ? ? CA H ASN 77 ? ? C H ASN 77 ? ? 133.36 111.00 22.36 2.70 N 8 1 CA H PRO 129 ? ? CB H PRO 129 ? ? CG H PRO 129 ? ? 92.42 104.80 -12.38 1.90 N 9 1 C H GLU 151 ? ? N H PRO 152 ? ? CA H PRO 152 ? ? 109.28 119.30 -10.02 1.50 Y 10 1 N H GLY 160 ? ? CA H GLY 160 ? ? C H GLY 160 ? ? 97.43 113.10 -15.67 2.50 N 11 1 N H GLN 174 ? ? CA H GLN 174 ? ? C H GLN 174 ? ? 90.17 111.00 -20.83 2.70 N 12 1 N H SER 175 ? ? CA H SER 175 ? ? C H SER 175 ? ? 132.40 111.00 21.40 2.70 N 13 1 N H SER 189 ? ? CA H SER 189 ? ? C H SER 189 ? ? 130.42 111.00 19.42 2.70 N 14 1 C H TRP 191 ? ? N H PRO 192 ? ? CD H PRO 192 ? ? 114.64 128.40 -13.76 2.10 Y 15 1 C H HIS 202 ? ? N H PRO 203 ? ? CA H PRO 203 ? ? 129.56 119.30 10.26 1.50 Y 16 1 N L PHE 66 ? ? CA L PHE 66 ? ? C L PHE 66 ? ? 128.22 111.00 17.22 2.70 N 17 1 N L SER 67 ? ? CA L SER 67 ? ? C L SER 67 ? ? 134.90 111.00 23.90 2.70 N 18 1 N L SER 71 ? ? CA L SER 71 ? ? C L SER 71 ? ? 130.62 111.00 19.62 2.70 N 19 1 N L ASP 86 ? ? CA L ASP 86 ? ? C L ASP 86 ? ? 127.92 111.00 16.92 2.70 N 20 1 C L ALA 116 ? ? N L PRO 117 ? ? CA L PRO 117 ? ? 128.68 119.30 9.38 1.50 Y 21 1 CB L PHE 122 ? ? CG L PHE 122 ? ? CD2 L PHE 122 ? ? 113.40 120.80 -7.40 0.70 N 22 1 C L PHE 122 ? ? N L PRO 123 ? ? CA L PRO 123 ? ? 131.83 119.30 12.53 1.50 Y 23 1 N L ASP 147 ? ? CA L ASP 147 ? ? C L ASP 147 ? ? 136.38 111.00 25.38 2.70 N 24 1 N L ILE 148 ? ? CA L ILE 148 ? ? C L ILE 148 ? ? 142.31 111.00 31.31 2.70 N 25 1 N L ILE 154 ? ? CA L ILE 154 ? ? C L ILE 154 ? ? 94.15 111.00 -16.85 2.70 N 26 1 N L GLY 156 ? ? CA L GLY 156 ? ? C L GLY 156 ? ? 95.01 113.10 -18.09 2.50 N 27 1 N L SER 175 ? ? CA L SER 175 ? ? C L SER 175 ? ? 127.76 111.00 16.76 2.70 N 28 1 CA L CYS 198 ? ? CB L CYS 198 ? ? SG L CYS 198 ? ? 122.20 114.20 8.00 1.10 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 HIS A 317 ? ? -58.26 -9.28 2 1 GLU A 327 ? ? -107.97 70.49 3 1 SER A 331 ? ? -138.53 -57.20 4 1 CYS A 333 ? ? -124.44 -169.11 5 1 PRO A 336 ? ? -65.08 55.20 6 1 LEU A 342 ? ? -45.64 -16.63 7 1 GLU A 343 ? ? -127.14 -165.39 8 1 HIS A 346 ? ? -46.09 165.77 9 1 VAL A 347 ? ? -39.78 139.33 10 1 LEU A 348 ? ? -153.71 75.51 11 1 VAL A 354 ? ? -33.82 -90.79 12 1 ILE A 357 ? ? -142.52 -152.06 13 1 THR A 359 ? ? -122.04 -52.37 14 1 PRO A 384 ? ? -39.43 112.52 15 1 ALA H 16 ? ? -157.63 -159.75 16 1 ILE H 29 ? ? -27.13 -41.38 17 1 ASP H 31 ? ? -33.40 -39.88 18 1 THR H 32 ? ? -146.39 -143.58 19 1 PRO H 41 ? ? -16.72 -70.97 20 1 SER H 58 ? ? -177.50 136.13 21 1 GLN H 65 ? ? -50.62 -81.41 22 1 LYS H 67 ? ? -66.10 -98.41 23 1 ALA H 68 ? ? -69.92 -179.31 24 1 THR H 69 ? ? -168.02 94.73 25 1 THR H 71 ? ? -174.37 127.42 26 1 SER H 75 ? ? -95.65 -152.59 27 1 THR H 87 ? ? -115.06 -156.85 28 1 THR H 91 ? ? -66.11 96.43 29 1 ARG H 98 ? ? -143.54 -38.38 30 1 GLU H 101 ? ? 84.80 51.22 31 1 TRP H 106 ? ? -118.50 -168.65 32 1 PRO H 121 ? ? -37.73 153.18 33 1 PRO H 129 ? ? -151.95 -138.42 34 1 THR H 140 ? ? -166.64 99.94 35 1 PHE H 149 ? ? -118.65 -79.19 36 1 PRO H 150 ? ? -36.54 134.99 37 1 GLU H 151 ? ? -65.63 8.02 38 1 VAL H 153 ? ? -155.52 86.33 39 1 SER H 159 ? ? -151.84 -50.52 40 1 PRO H 170 ? ? -46.35 164.66 41 1 ASP H 176 ? ? 70.33 33.76 42 1 VAL H 186 ? ? -113.46 66.27 43 1 THR H 187 ? ? -52.09 -2.47 44 1 SER H 189 ? ? -14.55 -57.12 45 1 ILE H 196 ? ? -116.65 -156.67 46 1 THR H 197 ? ? 173.49 162.57 47 1 SER H 206 ? ? 60.10 76.97 48 1 GLN L 6 ? ? -64.58 94.88 49 1 SER L 7 ? ? -46.67 -74.77 50 1 PRO L 8 ? ? -53.00 86.25 51 1 ALA L 9 ? ? -52.16 -5.76 52 1 SER L 10 ? ? 168.51 159.55 53 1 SER L 14 ? ? -57.51 173.95 54 1 SER L 26 ? ? -37.69 -93.36 55 1 SER L 28 ? ? 177.12 148.51 56 1 VAL L 29 ? ? -175.93 77.69 57 1 PHE L 36 ? ? -80.21 36.03 58 1 MET L 37 ? ? -48.84 158.19 59 1 PRO L 44 ? ? -27.11 135.09 60 1 LEU L 51 ? ? -144.11 -1.04 61 1 SER L 56 ? ? -150.66 76.91 62 1 GLU L 59 ? ? 178.81 135.54 63 1 THR L 64 ? ? -51.44 96.01 64 1 SER L 67 ? ? -33.23 161.94 65 1 SER L 69 ? ? 169.00 129.47 66 1 SER L 71 ? ? -157.20 -36.47 67 1 THR L 73 ? ? -69.18 17.71 68 1 THR L 76 ? ? 176.20 114.39 69 1 ASN L 80 ? ? -53.83 -81.66 70 1 PRO L 81 ? ? -63.69 99.85 71 1 ASP L 86 ? ? -43.32 3.64 72 1 GLN L 94 ? ? -165.52 119.93 73 1 ASN L 96 ? ? -96.29 -63.07 74 1 PRO L 99 ? ? -97.46 44.39 75 1 TRP L 100 ? ? -30.85 110.42 76 1 PHE L 102 ? ? -119.77 -162.36 77 1 ASP L 114 ? ? -21.85 100.02 78 1 PRO L 117 ? ? -40.54 173.12 79 1 THR L 118 ? ? -111.75 -166.40 80 1 PHE L 122 ? ? 173.13 117.35 81 1 SER L 125 ? ? -38.40 128.21 82 1 ALA L 134 ? ? -66.44 84.97 83 1 SER L 135 ? ? -154.67 72.40 84 1 PHE L 143 ? ? 171.46 154.99 85 1 LYS L 146 ? ? -66.73 33.05 86 1 ASP L 147 ? ? -102.86 -126.85 87 1 ILE L 148 ? ? -86.23 -124.88 88 1 GLU L 158 ? ? -57.01 177.81 89 1 VAL L 163 ? ? -44.10 97.69 90 1 SER L 175 ? ? 82.72 29.67 91 1 LEU L 185 ? ? -130.16 -158.87 92 1 THR L 186 ? ? -124.51 -168.65 93 1 GLU L 191 ? ? -81.86 46.80 94 1 ASN L 194 ? ? -97.45 -62.86 95 1 ALA L 200 ? ? -101.61 -141.07 # loop_ _pdbx_validate_planes.id _pdbx_validate_planes.PDB_model_num _pdbx_validate_planes.auth_comp_id _pdbx_validate_planes.auth_asym_id _pdbx_validate_planes.auth_seq_id _pdbx_validate_planes.PDB_ins_code _pdbx_validate_planes.label_alt_id _pdbx_validate_planes.rmsd _pdbx_validate_planes.type 1 1 PHE L 122 ? ? 0.215 'SIDE CHAIN' 2 1 TYR L 177 ? ? 0.071 'SIDE CHAIN' # _pdbx_phasing_MR.entry_id 2R69 _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details ? _pdbx_phasing_MR.R_factor 0.458 _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc 0.310 _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 4.000 _pdbx_phasing_MR.d_res_low_rotation 30.410 _pdbx_phasing_MR.d_res_high_translation 4.000 _pdbx_phasing_MR.d_res_low_translation 30.410 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 H GLN 108 ? B GLN 108 2 1 Y 1 H GLY 109 ? B GLY 109 3 1 Y 1 H THR 110 ? B THR 110 4 1 Y 1 H THR 135 ? B THR 133 5 1 Y 1 H SER 136 ? B SER 134 6 1 Y 1 H SER 137 ? B SER 135 7 1 Y 1 H SER 138 ? B SER 136 8 1 Y 1 H SER 193 ? B SER 191 9 1 Y 1 H GLN 194 ? B GLN 192 10 1 Y 1 H PRO 215 ? B PRO 213 11 1 Y 1 H ARG 216 ? B ARG 214 12 1 Y 1 L SER 203 ? C SER 202 13 1 Y 1 L PRO 204 ? C PRO 203 14 1 Y 1 L ILE 205 ? C ILE 204 15 1 Y 1 L VAL 206 ? C VAL 205 16 1 Y 1 L ASN 210 ? C ASN 209 17 1 Y 1 L ARG 211 ? C ARG 210 18 1 Y 1 L ASN 212 ? C ASN 211 19 1 Y 1 L GLU 213 ? C GLU 212 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal ALA N N N N 1 ALA CA C N S 2 ALA C C N N 3 ALA O O N N 4 ALA CB C N N 5 ALA OXT O N N 6 ALA H H N N 7 ALA H2 H N N 8 ALA HA H N N 9 ALA HB1 H N N 10 ALA HB2 H N N 11 ALA HB3 H N N 12 ALA HXT H N N 13 ARG N N N N 14 ARG CA C N S 15 ARG C C N N 16 ARG O O N N 17 ARG CB C N N 18 ARG CG C N N 19 ARG CD C N N 20 ARG NE N N N 21 ARG CZ C N N 22 ARG NH1 N N N 23 ARG NH2 N N N 24 ARG OXT O N N 25 ARG H H N N 26 ARG H2 H N N 27 ARG HA H N N 28 ARG HB2 H N N 29 ARG HB3 H N N 30 ARG HG2 H N N 31 ARG HG3 H N N 32 ARG HD2 H N N 33 ARG HD3 H N N 34 ARG HE H N N 35 ARG HH11 H N N 36 ARG HH12 H N N 37 ARG HH21 H N N 38 ARG HH22 H N N 39 ARG HXT H N N 40 ASN N N N N 41 ASN CA C N S 42 ASN C C N N 43 ASN O O N N 44 ASN CB C N N 45 ASN CG C N N 46 ASN OD1 O N N 47 ASN ND2 N N N 48 ASN OXT O N N 49 ASN H H N N 50 ASN H2 H N N 51 ASN HA H N N 52 ASN HB2 H N N 53 ASN HB3 H N N 54 ASN HD21 H N N 55 ASN HD22 H N N 56 ASN HXT H N N 57 ASP N N N N 58 ASP CA C N S 59 ASP C C N N 60 ASP O O N N 61 ASP CB C N N 62 ASP CG C N N 63 ASP OD1 O N N 64 ASP OD2 O N N 65 ASP OXT O N N 66 ASP H H N N 67 ASP H2 H N N 68 ASP HA H N N 69 ASP HB2 H N N 70 ASP HB3 H N N 71 ASP HD2 H N N 72 ASP HXT H N N 73 CYS N N N N 74 CYS CA C N R 75 CYS C C N N 76 CYS O O N N 77 CYS CB C N N 78 CYS SG S N N 79 CYS OXT O N N 80 CYS H H N N 81 CYS H2 H N N 82 CYS HA H N N 83 CYS HB2 H N N 84 CYS HB3 H N N 85 CYS HG H N N 86 CYS HXT H N N 87 GLN N N N N 88 GLN CA C N S 89 GLN C C N N 90 GLN O O N N 91 GLN CB C N N 92 GLN CG C N N 93 GLN CD C N N 94 GLN OE1 O N N 95 GLN NE2 N N N 96 GLN OXT O N N 97 GLN H H N N 98 GLN H2 H N N 99 GLN HA H N N 100 GLN HB2 H N N 101 GLN HB3 H N N 102 GLN HG2 H N N 103 GLN HG3 H N N 104 GLN HE21 H N N 105 GLN HE22 H N N 106 GLN HXT H N N 107 GLU N N N N 108 GLU CA C N S 109 GLU C C N N 110 GLU O O N N 111 GLU CB C N N 112 GLU CG C N N 113 GLU CD C N N 114 GLU OE1 O N N 115 GLU OE2 O N N 116 GLU OXT O N N 117 GLU H H N N 118 GLU H2 H N N 119 GLU HA H N N 120 GLU HB2 H N N 121 GLU HB3 H N N 122 GLU HG2 H N N 123 GLU HG3 H N N 124 GLU HE2 H N N 125 GLU HXT H N N 126 GLY N N N N 127 GLY CA C N N 128 GLY C C N N 129 GLY O O N N 130 GLY OXT O N N 131 GLY H H N N 132 GLY H2 H N N 133 GLY HA2 H N N 134 GLY HA3 H N N 135 GLY HXT H N N 136 HIS N N N N 137 HIS CA C N S 138 HIS C C N N 139 HIS O O N N 140 HIS CB C N N 141 HIS CG C Y N 142 HIS ND1 N Y N 143 HIS CD2 C Y N 144 HIS CE1 C Y N 145 HIS NE2 N Y N 146 HIS OXT O N N 147 HIS H H N N 148 HIS H2 H N N 149 HIS HA H N N 150 HIS HB2 H N N 151 HIS HB3 H N N 152 HIS HD1 H N N 153 HIS HD2 H N N 154 HIS HE1 H N N 155 HIS HE2 H N N 156 HIS HXT H N N 157 ILE N N N N 158 ILE CA C N S 159 ILE C C N N 160 ILE O O N N 161 ILE CB C N S 162 ILE CG1 C N N 163 ILE CG2 C N N 164 ILE CD1 C N N 165 ILE OXT O N N 166 ILE H H N N 167 ILE H2 H N N 168 ILE HA H N N 169 ILE HB H N N 170 ILE HG12 H N N 171 ILE HG13 H N N 172 ILE HG21 H N N 173 ILE HG22 H N N 174 ILE HG23 H N N 175 ILE HD11 H N N 176 ILE HD12 H N N 177 ILE HD13 H N N 178 ILE HXT H N N 179 LEU N N N N 180 LEU CA C N S 181 LEU C C N N 182 LEU O O N N 183 LEU CB C N N 184 LEU CG C N N 185 LEU CD1 C N N 186 LEU CD2 C N N 187 LEU OXT O N N 188 LEU H H N N 189 LEU H2 H N N 190 LEU HA H N N 191 LEU HB2 H N N 192 LEU HB3 H N N 193 LEU HG H N N 194 LEU HD11 H N N 195 LEU HD12 H N N 196 LEU HD13 H N N 197 LEU HD21 H N N 198 LEU HD22 H N N 199 LEU HD23 H N N 200 LEU HXT H N N 201 LYS N N N N 202 LYS CA C N S 203 LYS C C N N 204 LYS O O N N 205 LYS CB C N N 206 LYS CG C N N 207 LYS CD C N N 208 LYS CE C N N 209 LYS NZ N N N 210 LYS OXT O N N 211 LYS H H N N 212 LYS H2 H N N 213 LYS HA H N N 214 LYS HB2 H N N 215 LYS HB3 H N N 216 LYS HG2 H N N 217 LYS HG3 H N N 218 LYS HD2 H N N 219 LYS HD3 H N N 220 LYS HE2 H N N 221 LYS HE3 H N N 222 LYS HZ1 H N N 223 LYS HZ2 H N N 224 LYS HZ3 H N N 225 LYS HXT H N N 226 MET N N N N 227 MET CA C N S 228 MET C C N N 229 MET O O N N 230 MET CB C N N 231 MET CG C N N 232 MET SD S N N 233 MET CE C N N 234 MET OXT O N N 235 MET H H N N 236 MET H2 H N N 237 MET HA H N N 238 MET HB2 H N N 239 MET HB3 H N N 240 MET HG2 H N N 241 MET HG3 H N N 242 MET HE1 H N N 243 MET HE2 H N N 244 MET HE3 H N N 245 MET HXT H N N 246 PHE N N N N 247 PHE CA C N S 248 PHE C C N N 249 PHE O O N N 250 PHE CB C N N 251 PHE CG C Y N 252 PHE CD1 C Y N 253 PHE CD2 C Y N 254 PHE CE1 C Y N 255 PHE CE2 C Y N 256 PHE CZ C Y N 257 PHE OXT O N N 258 PHE H H N N 259 PHE H2 H N N 260 PHE HA H N N 261 PHE HB2 H N N 262 PHE HB3 H N N 263 PHE HD1 H N N 264 PHE HD2 H N N 265 PHE HE1 H N N 266 PHE HE2 H N N 267 PHE HZ H N N 268 PHE HXT H N N 269 PRO N N N N 270 PRO CA C N S 271 PRO C C N N 272 PRO O O N N 273 PRO CB C N N 274 PRO CG C N N 275 PRO CD C N N 276 PRO OXT O N N 277 PRO H H N N 278 PRO HA H N N 279 PRO HB2 H N N 280 PRO HB3 H N N 281 PRO HG2 H N N 282 PRO HG3 H N N 283 PRO HD2 H N N 284 PRO HD3 H N N 285 PRO HXT H N N 286 SER N N N N 287 SER CA C N S 288 SER C C N N 289 SER O O N N 290 SER CB C N N 291 SER OG O N N 292 SER OXT O N N 293 SER H H N N 294 SER H2 H N N 295 SER HA H N N 296 SER HB2 H N N 297 SER HB3 H N N 298 SER HG H N N 299 SER HXT H N N 300 THR N N N N 301 THR CA C N S 302 THR C C N N 303 THR O O N N 304 THR CB C N R 305 THR OG1 O N N 306 THR CG2 C N N 307 THR OXT O N N 308 THR H H N N 309 THR H2 H N N 310 THR HA H N N 311 THR HB H N N 312 THR HG1 H N N 313 THR HG21 H N N 314 THR HG22 H N N 315 THR HG23 H N N 316 THR HXT H N N 317 TRP N N N N 318 TRP CA C N S 319 TRP C C N N 320 TRP O O N N 321 TRP CB C N N 322 TRP CG C Y N 323 TRP CD1 C Y N 324 TRP CD2 C Y N 325 TRP NE1 N Y N 326 TRP CE2 C Y N 327 TRP CE3 C Y N 328 TRP CZ2 C Y N 329 TRP CZ3 C Y N 330 TRP CH2 C Y N 331 TRP OXT O N N 332 TRP H H N N 333 TRP H2 H N N 334 TRP HA H N N 335 TRP HB2 H N N 336 TRP HB3 H N N 337 TRP HD1 H N N 338 TRP HE1 H N N 339 TRP HE3 H N N 340 TRP HZ2 H N N 341 TRP HZ3 H N N 342 TRP HH2 H N N 343 TRP HXT H N N 344 TYR N N N N 345 TYR CA C N S 346 TYR C C N N 347 TYR O O N N 348 TYR CB C N N 349 TYR CG C Y N 350 TYR CD1 C Y N 351 TYR CD2 C Y N 352 TYR CE1 C Y N 353 TYR CE2 C Y N 354 TYR CZ C Y N 355 TYR OH O N N 356 TYR OXT O N N 357 TYR H H N N 358 TYR H2 H N N 359 TYR HA H N N 360 TYR HB2 H N N 361 TYR HB3 H N N 362 TYR HD1 H N N 363 TYR HD2 H N N 364 TYR HE1 H N N 365 TYR HE2 H N N 366 TYR HH H N N 367 TYR HXT H N N 368 VAL N N N N 369 VAL CA C N S 370 VAL C C N N 371 VAL O O N N 372 VAL CB C N N 373 VAL CG1 C N N 374 VAL CG2 C N N 375 VAL OXT O N N 376 VAL H H N N 377 VAL H2 H N N 378 VAL HA H N N 379 VAL HB H N N 380 VAL HG11 H N N 381 VAL HG12 H N N 382 VAL HG13 H N N 383 VAL HG21 H N N 384 VAL HG22 H N N 385 VAL HG23 H N N 386 VAL HXT H N N 387 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal ALA N CA sing N N 1 ALA N H sing N N 2 ALA N H2 sing N N 3 ALA CA C sing N N 4 ALA CA CB sing N N 5 ALA CA HA sing N N 6 ALA C O doub N N 7 ALA C OXT sing N N 8 ALA CB HB1 sing N N 9 ALA CB HB2 sing N N 10 ALA CB HB3 sing N N 11 ALA OXT HXT sing N N 12 ARG N CA sing N N 13 ARG N H sing N N 14 ARG N H2 sing N N 15 ARG CA C sing N N 16 ARG CA CB sing N N 17 ARG CA HA sing N N 18 ARG C O doub N N 19 ARG C OXT sing N N 20 ARG CB CG sing N N 21 ARG CB HB2 sing N N 22 ARG CB HB3 sing N N 23 ARG CG CD sing N N 24 ARG CG HG2 sing N N 25 ARG CG HG3 sing N N 26 ARG CD NE sing N N 27 ARG CD HD2 sing N N 28 ARG CD HD3 sing N N 29 ARG NE CZ sing N N 30 ARG NE HE sing N N 31 ARG CZ NH1 sing N N 32 ARG CZ NH2 doub N N 33 ARG NH1 HH11 sing N N 34 ARG NH1 HH12 sing N N 35 ARG NH2 HH21 sing N N 36 ARG NH2 HH22 sing N N 37 ARG OXT HXT sing N N 38 ASN N CA sing N N 39 ASN N H sing N N 40 ASN N H2 sing N N 41 ASN CA C sing N N 42 ASN CA CB sing N N 43 ASN CA HA sing N N 44 ASN C O doub N N 45 ASN C OXT sing N N 46 ASN CB CG sing N N 47 ASN CB HB2 sing N N 48 ASN CB HB3 sing N N 49 ASN CG OD1 doub N N 50 ASN CG ND2 sing N N 51 ASN ND2 HD21 sing N N 52 ASN ND2 HD22 sing N N 53 ASN OXT HXT sing N N 54 ASP N CA sing N N 55 ASP N H sing N N 56 ASP N H2 sing N N 57 ASP CA C sing N N 58 ASP CA CB sing N N 59 ASP CA HA sing N N 60 ASP C O doub N N 61 ASP C OXT sing N N 62 ASP CB CG sing N N 63 ASP CB HB2 sing N N 64 ASP CB HB3 sing N N 65 ASP CG OD1 doub N N 66 ASP CG OD2 sing N N 67 ASP OD2 HD2 sing N N 68 ASP OXT HXT sing N N 69 CYS N CA sing N N 70 CYS N H sing N N 71 CYS N H2 sing N N 72 CYS CA C sing N N 73 CYS CA CB sing N N 74 CYS CA HA sing N N 75 CYS C O doub N N 76 CYS C OXT sing N N 77 CYS CB SG sing N N 78 CYS CB HB2 sing N N 79 CYS CB HB3 sing N N 80 CYS SG HG sing N N 81 CYS OXT HXT sing N N 82 GLN N CA sing N N 83 GLN N H sing N N 84 GLN N H2 sing N N 85 GLN CA C sing N N 86 GLN CA CB sing N N 87 GLN CA HA sing N N 88 GLN C O doub N N 89 GLN C OXT sing N N 90 GLN CB CG sing N N 91 GLN CB HB2 sing N N 92 GLN CB HB3 sing N N 93 GLN CG CD sing N N 94 GLN CG HG2 sing N N 95 GLN CG HG3 sing N N 96 GLN CD OE1 doub N N 97 GLN CD NE2 sing N N 98 GLN NE2 HE21 sing N N 99 GLN NE2 HE22 sing N N 100 GLN OXT HXT sing N N 101 GLU N CA sing N N 102 GLU N H sing N N 103 GLU N H2 sing N N 104 GLU CA C sing N N 105 GLU CA CB sing N N 106 GLU CA HA sing N N 107 GLU C O doub N N 108 GLU C OXT sing N N 109 GLU CB CG sing N N 110 GLU CB HB2 sing N N 111 GLU CB HB3 sing N N 112 GLU CG CD sing N N 113 GLU CG HG2 sing N N 114 GLU CG HG3 sing N N 115 GLU CD OE1 doub N N 116 GLU CD OE2 sing N N 117 GLU OE2 HE2 sing N N 118 GLU OXT HXT sing N N 119 GLY N CA sing N N 120 GLY N H sing N N 121 GLY N H2 sing N N 122 GLY CA C sing N N 123 GLY CA HA2 sing N N 124 GLY CA HA3 sing N N 125 GLY C O doub N N 126 GLY C OXT sing N N 127 GLY OXT HXT sing N N 128 HIS N CA sing N N 129 HIS N H sing N N 130 HIS N H2 sing N N 131 HIS CA C sing N N 132 HIS CA CB sing N N 133 HIS CA HA sing N N 134 HIS C O doub N N 135 HIS C OXT sing N N 136 HIS CB CG sing N N 137 HIS CB HB2 sing N N 138 HIS CB HB3 sing N N 139 HIS CG ND1 sing Y N 140 HIS CG CD2 doub Y N 141 HIS ND1 CE1 doub Y N 142 HIS ND1 HD1 sing N N 143 HIS CD2 NE2 sing Y N 144 HIS CD2 HD2 sing N N 145 HIS CE1 NE2 sing Y N 146 HIS CE1 HE1 sing N N 147 HIS NE2 HE2 sing N N 148 HIS OXT HXT sing N N 149 ILE N CA sing N N 150 ILE N H sing N N 151 ILE N H2 sing N N 152 ILE CA C sing N N 153 ILE CA CB sing N N 154 ILE CA HA sing N N 155 ILE C O doub N N 156 ILE C OXT sing N N 157 ILE CB CG1 sing N N 158 ILE CB CG2 sing N N 159 ILE CB HB sing N N 160 ILE CG1 CD1 sing N N 161 ILE CG1 HG12 sing N N 162 ILE CG1 HG13 sing N N 163 ILE CG2 HG21 sing N N 164 ILE CG2 HG22 sing N N 165 ILE CG2 HG23 sing N N 166 ILE CD1 HD11 sing N N 167 ILE CD1 HD12 sing N N 168 ILE CD1 HD13 sing N N 169 ILE OXT HXT sing N N 170 LEU N CA sing N N 171 LEU N H sing N N 172 LEU N H2 sing N N 173 LEU CA C sing N N 174 LEU CA CB sing N N 175 LEU CA HA sing N N 176 LEU C O doub N N 177 LEU C OXT sing N N 178 LEU CB CG sing N N 179 LEU CB HB2 sing N N 180 LEU CB HB3 sing N N 181 LEU CG CD1 sing N N 182 LEU CG CD2 sing N N 183 LEU CG HG sing N N 184 LEU CD1 HD11 sing N N 185 LEU CD1 HD12 sing N N 186 LEU CD1 HD13 sing N N 187 LEU CD2 HD21 sing N N 188 LEU CD2 HD22 sing N N 189 LEU CD2 HD23 sing N N 190 LEU OXT HXT sing N N 191 LYS N CA sing N N 192 LYS N H sing N N 193 LYS N H2 sing N N 194 LYS CA C sing N N 195 LYS CA CB sing N N 196 LYS CA HA sing N N 197 LYS C O doub N N 198 LYS C OXT sing N N 199 LYS CB CG sing N N 200 LYS CB HB2 sing N N 201 LYS CB HB3 sing N N 202 LYS CG CD sing N N 203 LYS CG HG2 sing N N 204 LYS CG HG3 sing N N 205 LYS CD CE sing N N 206 LYS CD HD2 sing N N 207 LYS CD HD3 sing N N 208 LYS CE NZ sing N N 209 LYS CE HE2 sing N N 210 LYS CE HE3 sing N N 211 LYS NZ HZ1 sing N N 212 LYS NZ HZ2 sing N N 213 LYS NZ HZ3 sing N N 214 LYS OXT HXT sing N N 215 MET N CA sing N N 216 MET N H sing N N 217 MET N H2 sing N N 218 MET CA C sing N N 219 MET CA CB sing N N 220 MET CA HA sing N N 221 MET C O doub N N 222 MET C OXT sing N N 223 MET CB CG sing N N 224 MET CB HB2 sing N N 225 MET CB HB3 sing N N 226 MET CG SD sing N N 227 MET CG HG2 sing N N 228 MET CG HG3 sing N N 229 MET SD CE sing N N 230 MET CE HE1 sing N N 231 MET CE HE2 sing N N 232 MET CE HE3 sing N N 233 MET OXT HXT sing N N 234 PHE N CA sing N N 235 PHE N H sing N N 236 PHE N H2 sing N N 237 PHE CA C sing N N 238 PHE CA CB sing N N 239 PHE CA HA sing N N 240 PHE C O doub N N 241 PHE C OXT sing N N 242 PHE CB CG sing N N 243 PHE CB HB2 sing N N 244 PHE CB HB3 sing N N 245 PHE CG CD1 doub Y N 246 PHE CG CD2 sing Y N 247 PHE CD1 CE1 sing Y N 248 PHE CD1 HD1 sing N N 249 PHE CD2 CE2 doub Y N 250 PHE CD2 HD2 sing N N 251 PHE CE1 CZ doub Y N 252 PHE CE1 HE1 sing N N 253 PHE CE2 CZ sing Y N 254 PHE CE2 HE2 sing N N 255 PHE CZ HZ sing N N 256 PHE OXT HXT sing N N 257 PRO N CA sing N N 258 PRO N CD sing N N 259 PRO N H sing N N 260 PRO CA C sing N N 261 PRO CA CB sing N N 262 PRO CA HA sing N N 263 PRO C O doub N N 264 PRO C OXT sing N N 265 PRO CB CG sing N N 266 PRO CB HB2 sing N N 267 PRO CB HB3 sing N N 268 PRO CG CD sing N N 269 PRO CG HG2 sing N N 270 PRO CG HG3 sing N N 271 PRO CD HD2 sing N N 272 PRO CD HD3 sing N N 273 PRO OXT HXT sing N N 274 SER N CA sing N N 275 SER N H sing N N 276 SER N H2 sing N N 277 SER CA C sing N N 278 SER CA CB sing N N 279 SER CA HA sing N N 280 SER C O doub N N 281 SER C OXT sing N N 282 SER CB OG sing N N 283 SER CB HB2 sing N N 284 SER CB HB3 sing N N 285 SER OG HG sing N N 286 SER OXT HXT sing N N 287 THR N CA sing N N 288 THR N H sing N N 289 THR N H2 sing N N 290 THR CA C sing N N 291 THR CA CB sing N N 292 THR CA HA sing N N 293 THR C O doub N N 294 THR C OXT sing N N 295 THR CB OG1 sing N N 296 THR CB CG2 sing N N 297 THR CB HB sing N N 298 THR OG1 HG1 sing N N 299 THR CG2 HG21 sing N N 300 THR CG2 HG22 sing N N 301 THR CG2 HG23 sing N N 302 THR OXT HXT sing N N 303 TRP N CA sing N N 304 TRP N H sing N N 305 TRP N H2 sing N N 306 TRP CA C sing N N 307 TRP CA CB sing N N 308 TRP CA HA sing N N 309 TRP C O doub N N 310 TRP C OXT sing N N 311 TRP CB CG sing N N 312 TRP CB HB2 sing N N 313 TRP CB HB3 sing N N 314 TRP CG CD1 doub Y N 315 TRP CG CD2 sing Y N 316 TRP CD1 NE1 sing Y N 317 TRP CD1 HD1 sing N N 318 TRP CD2 CE2 doub Y N 319 TRP CD2 CE3 sing Y N 320 TRP NE1 CE2 sing Y N 321 TRP NE1 HE1 sing N N 322 TRP CE2 CZ2 sing Y N 323 TRP CE3 CZ3 doub Y N 324 TRP CE3 HE3 sing N N 325 TRP CZ2 CH2 doub Y N 326 TRP CZ2 HZ2 sing N N 327 TRP CZ3 CH2 sing Y N 328 TRP CZ3 HZ3 sing N N 329 TRP CH2 HH2 sing N N 330 TRP OXT HXT sing N N 331 TYR N CA sing N N 332 TYR N H sing N N 333 TYR N H2 sing N N 334 TYR CA C sing N N 335 TYR CA CB sing N N 336 TYR CA HA sing N N 337 TYR C O doub N N 338 TYR C OXT sing N N 339 TYR CB CG sing N N 340 TYR CB HB2 sing N N 341 TYR CB HB3 sing N N 342 TYR CG CD1 doub Y N 343 TYR CG CD2 sing Y N 344 TYR CD1 CE1 sing Y N 345 TYR CD1 HD1 sing N N 346 TYR CD2 CE2 doub Y N 347 TYR CD2 HD2 sing N N 348 TYR CE1 CZ doub Y N 349 TYR CE1 HE1 sing N N 350 TYR CE2 CZ sing Y N 351 TYR CE2 HE2 sing N N 352 TYR CZ OH sing N N 353 TYR OH HH sing N N 354 TYR OXT HXT sing N N 355 VAL N CA sing N N 356 VAL N H sing N N 357 VAL N H2 sing N N 358 VAL CA C sing N N 359 VAL CA CB sing N N 360 VAL CA HA sing N N 361 VAL C O doub N N 362 VAL C OXT sing N N 363 VAL CB CG1 sing N N 364 VAL CB CG2 sing N N 365 VAL CB HB sing N N 366 VAL CG1 HG11 sing N N 367 VAL CG1 HG12 sing N N 368 VAL CG1 HG13 sing N N 369 VAL CG2 HG21 sing N N 370 VAL CG2 HG22 sing N N 371 VAL CG2 HG23 sing N N 372 VAL OXT HXT sing N N 373 # _atom_sites.entry_id 2R69 _atom_sites.fract_transf_matrix[1][1] 0.006069 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002582 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014950 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.013685 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_