Download MendeleyCrystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231
Zhou, X.L., Lin, C., Zou, X.F., Zhang, J., Li, J.To be published.
8J35
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231
- PDB DOI: https://doi.org/10.2210/pdb8J35/pdb
- Classification: VIRAL PROTEIN/INHIBITOR
- Organism(s): Severe acute respiratory syndrome coronavirus 2
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2023-04-16 Released: 2024-04-17
- Funding Organization(s): Not funded
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.79 ?
- R-Value Free: 0.228
- R-Value Work: 0.198
- R-Value Observed: 0.199
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 3C-like proteinase nsp5 | 299 | Severe acute respiratory syndrome coronavirus 2 | Mutation(s): 1 EC: 3.4.22.69 |  | |
UniProt | |||||
Find proteins for P0DTD1 (Severe acute respiratory syndrome coronavirus 2) Explore P0DTD1 Go to UniProtKB: P0DTD1 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0DTD1 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| V2M (Subject of Investigation/LOI) Query on V2M | C [auth A], D [auth B] | N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide C24 H34 N4 O6 FDQSUXUTXIGUIA-PRIDNEQBSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.79 ?
- R-Value Free: 0.228
- R-Value Work: 0.198
- R-Value Observed: 0.199
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 55.569 | ¦Á = 90 |
| b = 99.023 | ¦Â = 108.49 |
| c = 59.538 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-04-17 Deposition Author(s): Zhou, X.L., Lin, C., Zou, X.F., Zhang, J., Li, J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Not funded | -- |
Revision History (Full details and data files)
- Version 1.0: 2024-04-17
Type: Initial release - Version 1.1: 2024-11-20
Changes: Structure summary
