Download Mendeleywild-type SARS-CoV-2 main protease in complex with MG-132
Wang, Y.C., Yang, C.S., Hou, M.H., Tsai, C.L., Chen, Y.To be published.
7WQK
wild-type SARS-CoV-2 main protease in complex with MG-132
- PDB DOI: https://doi.org/10.2210/pdb7WQK/pdb
- Classification: VIRAL PROTEIN
- Organism(s): Severe acute respiratory syndrome coronavirus 2
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- 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: 2.15 ?
- R-Value Free: 0.289
- R-Value Work: 0.228
- R-Value Observed: 0.231
Starting Model: experimental
View more details
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 | 307 | Severe acute respiratory syndrome coronavirus 2 | Mutation(s): 0 EC: 3.4.19.12 (PDB Primary Data), 3.4.22 (PDB Primary Data), 3.4.22.69 (PDB Primary Data), 2.7.7.48 (PDB Primary Data), 3.6.4.12 (PDB Primary Data), 3.6.4.13 (PDB Primary Data), 3.1.13 (PDB Primary Data), 3.1 (PDB Primary Data), 2.1.1 (PDB Primary Data) |  | |
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 | C [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 | B [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_001210 (ALD) Query on PRD_001210 | C [auth A] | PHQ-Leu-Leu-Leu-aldehyde MG-132, bound form | Peptide-like / Inhibitor | | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.15 ?
- R-Value Free: 0.289
- R-Value Work: 0.228
- R-Value Observed: 0.231
- Space Group: C 1 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 110.978 | ¦Á = 90 |
| b = 55.14 | ¦Â = 102.34 |
| c = 47.111 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | 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
