Download MendeleyCompany Says It Mapped Part of SARS Virus
Bonanno, J.B., Fowler, R., Gupta, S., Hendle, J., Lorimer, D., Romero, R., Sauder, J.M., Wei, C.L., Liu, E.T., Burley, S.K., Harris, T.(2003) N Y Times Web 30 July: C2-C2
1Q2W
X-Ray Crystal Structure of the SARS Coronavirus Main Protease
- PDB DOI: https://doi.org/10.2210/pdb1Q2W/pdb
- Classification: HYDROLASE
- Organism(s): Severe acute respiratory syndrome-related coronavirus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2003-07-26 Released: 2003-07-29
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.86 Å
- R-Value Free: 0.249
- R-Value Work: 0.194
- R-Value Observed: 0.207
wwPDB Validation 3D Report Full Report
This is version 1.8 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 3C-like protease | 308 | Severe acute respiratory syndrome-related coronavirus | Mutation(s): 0 Gene Names: 1a EC: 3.4.22 |  | |
UniProt | |||||
Find proteins for P0C6U8 (Severe acute respiratory syndrome coronavirus) Explore P0C6U8 Go to UniProtKB: P0C6U8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0C6U8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MPD Query on MPD | C [auth A] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.86 Å
- R-Value Free: 0.249
- R-Value Work: 0.194
- R-Value Observed: 0.207
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 52.244 | α = 90 |
| b = 98.287 | β = 102.86 |
| c = 67.822 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MAR345 | data collection |
| SCALA | data scaling |
| EPMR | phasing |
| REFMAC | refinement |
| CCP4 | data scaling |
Entry History
Deposition Data
- Released Date: 2003-07-29 Deposition Author(s): Bonanno, J.B., Fowler, R., Gupta, S., Hendle, J., Lorimer, D., Romero, R., Sauder, J.M., Wei, C.L., Liu, E.T., Burley, S.K., Harris, T.
Revision History (Full details and data files)
- Version 1.0: 2003-07-29
Type: Initial release - Version 1.1: 2008-04-29
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2017-10-11
Changes: Refinement description - Version 1.4: 2018-11-14
Changes: Data collection, Database references, Structure summary - Version 1.5: 2020-02-12
Changes: Database references, Source and taxonomy, Structure summary - Version 1.6: 2020-02-26
Changes: Database references - Version 1.7: 2021-02-03
Changes: Database references, Derived calculations, Structure summary - Version 1.8: 2023-08-16
Changes: Data collection, Database references, Refinement description
