MolNFT v1 · #104092 · protein
3.1 a resolution crystal structure of the B. pertussis bvgs periplasmic domain
4Q0C · Virulence sensor protein bvgs: “3.1 a resolution crystal structure of the B. pertussis bvgs periplasmic domain”. X-ray diffraction, 20 pockets (best druggability 0.89). MolNFT v1 #104092 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4Q0C
- Type
- protein
- Length
- 2,052 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Virulence sensor protein bvgs
- EC
- 2.7.13.3
- UniProt
- P16575
- Pockets
- 20 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Virulence sensor protein bvgs (EC 2.7.13.3) | protein | 513 | 37% helix, 26% strand | P16575 |
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1008 | 0.89 | 0.90 | 154 | empty |
| 2 | 1152 | 0.86 | 0.87 | 110 | empty |
| 3 | 227 | 0.82 | 0.95 | 35 | empty |
| 4 | 1117 | 0.82 | 0.83 | 150 | empty |
| 5 | 328 | 0.81 | 0.91 | 55 | empty |
Interfaces
5 interfaces between chains.
- C–D · 4355 Ų buried · 61 hydrogen bonds · protein-protein
- A–B · 4259 Ų buried · 50 hydrogen bonds · protein-protein
- A–C · 822 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 273 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 152 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4Q0C · 3.1 A resolution crystal structure of the B. pertussis BvgS periplasmic domain · the same entry in another collection · chain D against D, TM-score 1.00
- P16575 · AlphaFold monomer V2.0 prediction for virulence sensor protein bvgs (P16575) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P16575
- Elsewhere: RCSB PDB 4Q0C · PDBe 4Q0C · UniProt P16575
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