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Product structure of SARS-cov-2 mpro C145A mutant in complex with its C-terminal autoprocessing sequence.
Analyse Product structure of SARS-cov-2 mpro C145A mutant in complex with its… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7JOY
- Type
- protein
- Length
- 612 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase
- EC
- 3.4.22.69
- UniProt
- P0DTD1
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3C-like proteinase (EC 3.4.22.69) | protein | 306 | 25% helix, 29% strand | P0DTD1 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1007 | 0.77 | 0.79 | 78 | empty |
| 2 | 214 | 0.51 | 0.76 | 29 | empty |
| 3 | 308 | 0.50 | 0.73 | 41 | empty |
| 4 | 203 | 0.49 | 0.76 | 29 | empty |
| 5 | 180 | 0.48 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1465 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 7JOY · Product structure of SARS-CoV-2 Mpro C145A mutant in complex with its C-terminal… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0DTD1
- Elsewhere: RCSB PDB 7JOY · PDBe 7JOY · UniProt P0DTD1
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