3M3S

Crystal structure of SARS-COV main protease Asn214Ala mutant with authorize N-terminus

PDB DOI: https://doi.org/10.2210/pdb3M3S/pdb

Classification: HYDROLASE
Organism(s): Severe acute respiratory syndrome-related coronavirus
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2010-03-10 Released: 2011-03-23
Deposition Author(s): Shi, J.H., Song, J.X.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.30 Å
R-Value Free: 0.257
R-Value Work: 0.196
R-Value Observed: 0.200

Starting Model: experimental
View more details

wwPDB Validation 3D Report Full Report

This is version 1.2 of the entry. See complete history.

Literature

Dynamical Inactivation of the Catalytic Machinery of the SARS-CoV 3C-Like Protease as Triggered by the N214A Mutation on the Extra Domain

Shi, J.H., Song, J.X.

To be published.

Macromolecule Content

Total Structure Weight: 67.67 kDa
Atom Count: 4,997
Modelled Residue Count: 608
Deposited Residue Count: 612
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
3C-like proteinase	A, B	306	Severe acute respiratory syndrome-related coronavirus	Mutation(s): 1 Gene Names: main protease EC: 3.4.22
UniProt
Find proteins for P0C6X7 (Severe acute respiratory syndrome coronavirus) Explore P0C6X7 Go to UniProtKB: P0C6X7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P0C6X7
Sequence AnnotationsExpand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.30 Å
R-Value Free: 0.257
R-Value Work: 0.196
R-Value Observed: 0.200
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 52.495	α = 90
b = 96.485	β = 102.47
c = 68.084	γ = 90

Software Package:

Software Name	Purpose
PROTEUM PLUS	data collection
PHASES	phasing
PHENIX	refinement
DENZO	data reduction
PROTEUM PLUS	data scaling

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2011-03-23

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2011-03-23
Type: Initial release
Version 1.1: 2011-07-13
Changes: Version format compliance
Version 1.2: 2023-11-01
Changes: Data collection, Database references, Refinement description

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.