Download MendeleyCrystal structure of the SARS-CoV-2 Main Protease
Dupre, E., Villeret, V., Hanoulle, X.To be published.
7NTT
Crystal structure of the SARS-CoV-2 Main Protease
- PDB DOI: https://doi.org/10.2210/pdb7NTT/pdb
- Classification: VIRAL PROTEIN
- Organism(s): Severe acute respiratory syndrome coronavirus 2
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2021-03-10 Released: 2022-03-02
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.74 ?
- R-Value Free: 0.255
- R-Value Work: 0.207
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
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 | 306 | Severe acute respiratory syndrome coronavirus 2 | Mutation(s): 0 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 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FMT Query on FMT | D [auth B], E [auth B] | FORMIC ACID C H2 O2 BDAGIHXWWSANSR-UHFFFAOYSA-N |  | ||
| NA Query on NA | C [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.74 ?
- R-Value Free: 0.255
- R-Value Work: 0.207
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 44.76 | ¦Á = 90 |
| b = 53.98 | ¦Â = 101.18 |
| c = 114.35 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| Aimless | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
| XDS | data processing |
| Coot | model building |
Entry History
Deposition Data
- Released Date: 2022-03-02 Deposition Author(s): Dupre, E., Villeret, V., Hanoulle, X.
Revision History (Full details and data files)
- Version 1.0: 2022-03-02
Type: Initial release - Version 1.1: 2024-01-31
Changes: Data collection, Derived calculations, Refinement description
