MolNFT v1 · #181936 · protein
SARS-cov-2 main protease (mpro) C145A in complex with cleavage site NSP8/9 (P6-P1)
7MB8 · 3C-like proteinase: “SARS-cov-2 main protease (mpro) C145A in complex with cleavage site NSP8/9 (P6-P1)”. X-ray diffraction, 11 pockets (best druggability 0.77). MolNFT v1 #181936 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7MB8
- Type
- protein
- Length
- 1,244 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase; Ser-ala-val-lys-leu-gln
- EC
- 3.4.22.69
- UniProt
- P0DTD1
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | 3C-like proteinase (EC 3.4.22.69) | protein | 305 | 25% helix, 29% strand | P0DTD1 |
| B | 3C-like proteinase (EC 3.4.22.69) | protein | 304 | 26% helix, 29% strand | P0DTD1 |
| D | 3C-like proteinase (EC 3.4.22.69) | protein | 306 | 24% helix, 29% strand | P0DTD1 |
| E, G, F, H | Ser-ala-val-lys-leu-gln | protein | 6 | 0% helix, 33% strand | P0DTD1 |
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1011 | 0.77 | 0.79 | 95 | empty |
| 2 | 258 | 0.53 | 0.75 | 42 | empty |
| 3 | 171 | 0.46 | 0.75 | 29 | empty |
| 4 | 151 | 0.46 | 0.76 | 37 | empty |
| 5 | 186 | 0.45 | 0.74 | 31 | empty |
Interfaces
11 interfaces between chains.
- A–B · 1574 Ų buried · 38 hydrogen bonds · protein-protein
- D–H · 568 Ų buried · 13 hydrogen bonds · protein-protein
- B–F · 568 Ų buried · 13 hydrogen bonds · protein-protein
- A–E · 564 Ų buried · 12 hydrogen bonds · protein-protein
- C–G · 551 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7MB8 · SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp8/9 (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 7MB8 · PDBe 7MB8 · UniProt P0DTD1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.