MolNFT v1 · #189424 · protein
The complex of SARS-COV2 3CL and NB2B4
7VFB: “The complex of SARS-COV2 3CL and NB2B4”. X-ray diffraction, 3 pockets (best druggability 0.44). MolNFT v1 #189424 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7VFB
- Type
- protein
- Length
- 419 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NB2B4; 3C-like proteinase
- EC
- 3.4.22.69
- UniProt
- P0DTC1
- Pockets
- 3 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | NB2B4 | protein | 133 | 5% helix, 49% strand | — |
| A | 3C-like proteinase (EC 3.4.22.69) | protein | 286 | 27% helix, 29% strand | P0DTC1 |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 140 | 0.44 | 0.76 | 31 | empty |
| 2 | 108 | 0.41 | 0.77 | 22 | empty |
| 3 | 50 | 0.32 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- B–A · 890 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7VFB · the complex of SARS-CoV2 3cl and NB2B4 · the same entry in another collection · chain B against B, 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 7VFB · PDBe 7VFB · UniProt P0DTC1
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