MolNFT v1 · #76606 · protein
Crystal structure of the beta domain of the bordetella autotransporter brka
3QQ2 · Brka autotransporter: “Crystal structure of the beta domain of the bordetella autotransporter brka”. X-ray diffraction, 7 pockets (best druggability 0.85). MolNFT v1 #76606 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3QQ2
- Type
- protein
- Length
- 744 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Brka autotransporter
- UniProt
- Q45340
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 1% helix, 76% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Brka autotransporter | protein | 245 | 1% helix, 76% strand | Q45340 |
| B | Brka autotransporter | protein | 250 | 0% helix, 80% strand | Q45340 |
| C | Brka autotransporter | protein | 249 | 2% helix, 72% strand | Q45340 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1059 | 0.85 | 0.86 | 96 | empty |
| 2 | 904 | 0.85 | 0.87 | 87 | empty |
| 3 | 911 | 0.84 | 0.85 | 78 | empty |
| 4 | 115 | 0.38 | 0.74 | 18 | empty |
| 5 | 67 | 0.35 | 0.77 | 13 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1480 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 938 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3QQ2 · Crystal Structure of the Beta Domain of the Bordetella Autotransporter Brka · the same entry in another collection · chain A against A, TM-score 1.00
- Q45340 · AlphaFold monomer V2.0 prediction for brka autotransporter (Q45340) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q45340
- Elsewhere: RCSB PDB 3QQ2 · PDBe 3QQ2 · UniProt Q45340
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