MolNFT v1 · #50528 · protein
Intermediate position of ATP on its trail to the binding pocket inside the subunit B mutant R416W of the energy converter A1AO ATP synthase
2RKW · V-type ATP synthase beta chain: “Intermediate position of ATP on its trail to the binding pocket inside the subunit B mutant R416W of the…”. X-ray diffraction, 10 pockets (best druggability 0.86). MolNFT v1 #50528 on GenesisL1: 3D…
- PDB
- 2RKW
- Type
- protein
- Length
- 844 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- V-type ATP synthase beta chain
- EC
- 3.6.3.14
- UniProt
- Q60187
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | V-type ATP synthase beta chain (EC 3.6.3.14) | protein | 422 | 33% helix, 19% strand | Q60187 |
| B | V-type ATP synthase beta chain (EC 3.6.3.14) | protein | 422 | 29% helix, 18% strand | Q60187 |
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.86 | 0.96 | 46 | empty |
| 2 | 1129 | 0.80 | 0.81 | 95 | empty |
| 3 | 389 | 0.64 | 0.79 | 47 | empty |
| 4 | 271 | 0.61 | 0.80 | 44 | empty |
| 5 | 153 | 0.59 | 0.83 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2537 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 2RKW · Intermediate position of ATP on its trail to the binding pocket inside the subunit B… · the same entry in another collection · chain A against A, TM-score 1.00
- Q60187 · AlphaFold monomer V2.0 prediction for V-type ATP synthase beta chain (Q60187) · a predicted model of the same protein · chain A against A, TM-score 0.88
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 Q60187
- Elsewhere: RCSB PDB 2RKW · PDBe 2RKW · UniProt Q60187
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