MolNFT v1 · #189544 · protein
Crystal structure of SARS-cov-2 mpro at 2.25 a resolution-13
7VK6 · 3C-like proteinase: “Crystal structure of SARS-cov-2 mpro at 2.25 a resolution-13”. X-ray diffraction, 8 pockets (best druggability 0.74). MolNFT v1 #189544 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7VK6
- Type
- protein
- Length
- 599 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
- P0DTC1
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.69) | protein | 300 | 24% helix, 29% strand | P0DTC1 |
| B | 3C-like proteinase (EC 3.4.22.69) | protein | 299 | 26% helix, 29% strand | P0DTC1 |
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1096 | 0.74 | 0.77 | 83 | empty |
| 2 | 356 | 0.62 | 0.78 | 54 | empty |
| 3 | 206 | 0.49 | 0.76 | 36 | empty |
| 4 | 179 | 0.47 | 0.76 | 26 | empty |
| 5 | 172 | 0.46 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1109 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 7VK6 · Crystal Structure of SARS-CoV-2 Mpro at 2.25 A resolution-13 · 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 P0DTC1
- Elsewhere: RCSB PDB 7VK6 · PDBe 7VK6 · UniProt P0DTC1
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