PanDDA analysis group deposition
Godoy, A.S., Mesquita, N.C.M.R., Oliva, G.To be published.
5RHT
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z291279160
- PDB DOI: https://doi.org/10.2210/pdb5RHT/pdb
- Deposition Group: G_1002158 (changed state) ExploreG_1002158
- Classification: VIRAL PROTEIN
- Organism(s): Zika virus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2020-05-25 Released: 2020-06-10
- Funding Organization(s): Sao Paulo Research Foundation (FAPESP)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.63 Å
- R-Value Free: 0.220
- R-Value Work: 0.179
- R-Value Observed: 0.181
This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
| Molecule | Chains | Sequence Length | Organism | Details | Image |
|---|---|---|---|---|---|
| NS3 Helicase | 435 | Zika virus | Mutation(s): 0 EC: 3.4.21.91 (PDB Primary Data), 3.6.1.15 (PDB Primary Data), 3.6.4.13 (PDB Primary Data) | ||
Find proteins for Q32ZE1 (Zika virus) Explore Q32ZE1 Go to UniProtKB: Q32ZE1 | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q32ZE1 | ||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| LV4 (Subject of Investigation/LOI) Query on LV4 | F [auth A] | 1-[2-(trifluoromethyloxy)phenyl]thiourea C8 H7 F3 N2 O S HYKOSRYWIURWQI-UHFFFAOYSA-N | |||
| MPD Query on MPD | E [auth A] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-N | |||
| PO4 Query on PO4 | C [auth A], D [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K | |||
| EDO Query on EDO | B [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N | |||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.63 Å
- R-Value Free: 0.220
- R-Value Work: 0.179
- R-Value Observed: 0.181
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 53.42 | α = 90 |
| b = 68.934 | β = 92.32 |
| c = 57.182 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| Aimless | data scaling |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| REFMAC | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2020-06-10 Deposition Author(s): Godoy, A.S., Mesquita, N.C.M.R., Oliva, G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Sao Paulo Research Foundation (FAPESP) | Brazil | 2013/07600-3 |
Revision History (Full details and data files)
- Version 1.0: 2020-06-10
Type: Initial release - Version 1.1: 2024-03-06
Changes: Data collection, Database references