Download MendeleySARS-CoV-2 main protease mutant (P168A) in complex with MG-132
Wang, Y.C., Yang, C.S., Hou, M.H., Tsai, C.L., Chen, Y.To be published.
7WQB
SARS-CoV-2 main protease mutant (P168A) in complex with MG-132
- PDB DOI: https://doi.org/10.2210/pdb7WQB/pdb
- Classification: VIRAL PROTEIN
- Organism(s): Severe acute respiratory syndrome coronavirus 2
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2022-01-25 Released: 2023-08-02
- Funding Organization(s): Ministry of Science and Technology (MoST, Taiwan)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.87 Å
- R-Value Free: 0.228
- R-Value Work: 0.188
- R-Value Observed: 0.192
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 | 307 | 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 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ALD (Subject of Investigation/LOI) Query on ALD | B [auth A] | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide C26 H43 N3 O5 WUJQMWDTZKIKQZ-VABKMULXSA-N |  | ||
| MG Query on MG | C [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_001210 (ALD) Query on PRD_001210 | B [auth A] | PHQ-Leu-Leu-Leu-aldehyde MG-132, bound form | Peptide-like / Inhibitor | | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.87 Å
- R-Value Free: 0.228
- R-Value Work: 0.188
- R-Value Observed: 0.192
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 113.977 | α = 90 |
| b = 53.483 | β = 101.641 |
| c = 45.408 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-08-02 Deposition Author(s): Wang, Y.C., Yang, C.S., Hou, M.H., Tsai, C.L., Chen, Y.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Ministry of Science and Technology (MoST, Taiwan) | Taiwan | 109-2311-B241-001 |
Revision History (Full details and data files)
- Version 1.0: 2023-08-02
Type: Initial release - Version 1.1: 2024-11-13
Changes: Data collection, Structure summary
