Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
Lewandowski, E.M., Hu, Y., Tan, H., Wang, J., Chen, Y.To be published.
8EHJ
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
- PDB DOI: https://doi.org/10.2210/pdb8EHJ/pdb
- Classification: VIRAL PROTEIN
- Organism(s): Severe acute respiratory syndrome coronavirus 2
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2022-09-14 Released: 2022-09-28
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.28 Å
- R-Value Free: 0.250
- R-Value Work: 0.214
- R-Value Observed: 0.216
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
| Molecule | Chains | Sequence Length | Organism | Details | Image |
|---|---|---|---|---|---|
| 3C-like proteinase nsp5 | 306 | Severe acute respiratory syndrome coronavirus 2 | Mutation(s): 1 Gene Names: rep, 1a-1b EC: 3.4.22.69 | ||
Find proteins for P0DTD1 (Severe acute respiratory syndrome coronavirus 2) Explore P0DTD1 Go to UniProtKB: P0DTD1 | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0DTD1 | ||||
| |||||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.28 Å
- R-Value Free: 0.250
- R-Value Work: 0.214
- R-Value Observed: 0.216
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 44.865 | α = 90 |
| b = 53.461 | β = 101.31 |
| c = 113.543 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-09-28 Deposition Author(s): Lewandowski, E.M., Hu, Y., Tan, H., Wang, J., Chen, Y.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | AI158775 |
Revision History (Full details and data files)
- Version 1.0: 2022-09-28
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Refinement description