MolNFT v1 · #83848 · protein
Crystal structure of vinn
3WV4 · Non-ribosomal peptide synthetase: “Crystal structure of vinn”. X-ray diffraction, 4 pockets (best druggability 0.71). MolNFT v1 #83848 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WV4
- Type
- protein
- Length
- 766 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-ribosomal peptide synthetase
- EC
- 6.2.1.-
- UniProt
- Q76KY2
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-ribosomal peptide synthetase (EC 6.2.1.-) | protein | 392 | 37% helix, 23% strand | Q76KY2 |
| B | Non-ribosomal peptide synthetase (EC 6.2.1.-) | protein | 374 | 37% helix, 23% strand | Q76KY2 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 781 | 0.71 | 0.77 | 68 | empty |
| 2 | 231 | 0.56 | 0.78 | 43 | empty |
| 3 | 209 | 0.52 | 0.77 | 40 | empty |
| 4 | 75 | 0.31 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 529 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3WV4 · Crystal structure of VinN · 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 Q76KY2
- Elsewhere: RCSB PDB 3WV4 · PDBe 3WV4 · UniProt Q76KY2
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