MolNFT v1 · #181934 · protein
SARS-cov-2 main protease (mpro) C145A in complex with cleavage site NSP6/7 (P6-P1)
7MB6 · 3C-like proteinase: “SARS-cov-2 main protease (mpro) C145A in complex with cleavage site NSP6/7 (P6-P1)”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #181934 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7MB6
- Type
- protein
- Length
- 617 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase; Lys-val-ala-thr-val-gln
- EC
- 3.4.22.69
- UniProt
- P0DTD1
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 24% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.69) | protein | 305 | 24% helix, 29% strand | P0DTD1 |
| B | 3C-like proteinase (EC 3.4.22.69) | protein | 306 | 25% helix, 28% strand | P0DTD1 |
| C | Lys-val-ala-thr-val-gln | protein | 6 | 0% helix, 33% strand | P0DTD1 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 904 | 0.75 | 0.79 | 75 | empty |
| 2 | 239 | 0.57 | 0.78 | 44 | empty |
| 3 | 206 | 0.51 | 0.76 | 30 | empty |
| 4 | 243 | 0.47 | 0.73 | 41 | empty |
| 5 | 130 | 0.39 | 0.74 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1411 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 544 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 16 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7MB6 · SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp6/7 (P6-P1) · 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 7MB6 · PDBe 7MB6 · UniProt P0DTD1
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