MolNFT v1 · #62214 · protein
Crystal structure of SARS-cov mpro mutant in P21 at PH6.9
3E91 · 3C-like proteinase: “Crystal structure of SARS-cov mpro mutant in P21 at PH6.9”. X-ray diffraction, 7 pockets (best druggability 0.75). MolNFT v1 #62214 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3E91
- Type
- protein
- Length
- 605 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase
- EC
- 3.4.22.-
- UniProt
- P0C6U8
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.-) | protein | 305 | 26% helix, 29% strand | P0C6U8 |
| B | 3C-like proteinase (EC 3.4.22.-) | protein | 300 | 24% helix, 28% strand | P0C6U8 |
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.75 | 0.78 | 73 | empty |
| 2 | 282 | 0.49 | 0.73 | 39 | empty |
| 3 | 118 | 0.43 | 0.77 | 24 | empty |
| 4 | 147 | 0.41 | 0.74 | 21 | empty |
| 5 | 122 | 0.38 | 0.74 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1380 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 3E91 · Crystal structure of SARS-CoV Mpro mutant in P21 at pH6.9 · 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 P0C6U8
- Elsewhere: RCSB PDB 3E91 · PDBe 3E91 · UniProt P0C6U8
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