MolNFT v1 · #114359 · protein
Structural basis for a unique ATP synthase core complex from nanoarcheaum equitans
5BN5 · V-type ATP synthase alpha chain: “Structural basis for a unique ATP synthase core complex from nanoarcheaum equitans”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.85). MolNFT v1 #114359 on GenesisL1: 3D…
- PDB
- 5BN5
- Type
- protein
- Length
- 965 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- V-type ATP synthase alpha chain; NEQ263
- EC
- 3.6.3.14
- UniProt
- Q74MJ7, Q74MS5
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | V-type ATP synthase alpha chain (EC 3.6.3.14) | protein | 562 | 31% helix, 22% strand | Q74MJ7 |
| B | NEQ263 | protein | 403 | 36% helix, 22% strand | Q74MS5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 754 | 0.85 | 0.88 | 73 | empty |
| 2 | 569 | 0.83 | 0.88 | 54 | empty |
| 3 | 441 | 0.69 | 0.80 | 52 | empty |
| 4 | 194 | 0.60 | 0.82 | 28 | empty |
| 5 | 217 | 0.58 | 0.80 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2941 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 5BN5 · Structural basis for a unique ATP synthase core complex from Nanoarcheaum equitans · the same entry in another collection · chain A against A, TM-score 1.00
- Q74MJ7 · AlphaFold monomer V2.0 prediction for V-type ATP synthase alpha chain (Q74MJ7) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q74MJ7
- Every structure of UniProt Q74MS5
- Elsewhere: RCSB PDB 5BN5 · PDBe 5BN5 · UniProt Q74MJ7 · UniProt Q74MS5
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