MolNFT v1 · #65210 · protein
Crystal structure of the A3B3 complex from V-ATPase
3GQB · V-type ATP synthase alpha chain: “Crystal structure of the A3B3 complex from V-ATPase”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #65210 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3GQB
- Type
- protein
- Length
- 2,076 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- V-type ATP synthase alpha chain; V-type ATP synthase beta chain
- EC
- 3.6.3.14
- UniProt
- Q56403, Q56404
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | V-type ATP synthase alpha chain (EC 3.6.3.14) | protein | 578 | 33% helix, 24% strand | Q56403 |
| B, D | V-type ATP synthase beta chain | protein | 460 | 35% helix, 23% strand | Q56404 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 819 | 0.85 | 0.87 | 83 | empty |
| 2 | 1077 | 0.85 | 0.86 | 90 | empty |
| 3 | 630 | 0.76 | 0.82 | 78 | empty |
| 4 | 921 | 0.76 | 0.79 | 89 | empty |
| 5 | 197 | 0.69 | 0.87 | 34 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2486 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 2479 Ų buried · 32 hydrogen bonds · protein-protein
- A–C · 244 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 62 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3GQB · Crystal Structure of the A3B3 complex from V-ATPase · the same entry in another collection · chain A against A, TM-score 1.00
- Q56404 · AlphaFold monomer V2.0 prediction for V-type ATP synthase beta chain (Q56404) · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q56403 · AlphaFold monomer V2.0 prediction for V-type ATP synthase alpha chain (Q56403) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q56403
- Every structure of UniProt Q56404
- Elsewhere: RCSB PDB 3GQB · PDBe 3GQB · UniProt Q56403 · UniProt Q56404
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