MolNFT v1 · #114449 · protein
Structure of the yeast F1FO ATPase C10 ring with oligomycin a
5BPS · ATP synthase subunit 9, mitochondrial: “Structure of the yeast F1FO ATPase C10 ring with oligomycin a”. X-ray diffraction, 1 ligand (EFO), 5 pockets (best druggability 0.64). MolNFT v1 #114449 on GenesisL1: 3D structure, binding…
- PDB
- 5BPS
- Type
- protein
- Length
- 747 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP synthase subunit 9, mitochondrial
- EC
- 3.6.-.-
- UniProt
- P61829
- Ligands
- EFO
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 91% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, E | ATP synthase subunit 9, mitochondrial (EC 3.6.-.-) | protein | 74 | 91% helix, 0% strand | P61829 |
| B, C, K, L, M, N, O | ATP synthase subunit 9, mitochondrial (EC 3.6.-.-) | protein | 75 | 91% helix, 0% strand | P61829 |
Ligands and binding sites
- EFO · Oligomycin A · ligand · 7 copies · chains B, C, M, A, D, E, K, L, N, O
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 510 | 0.64 | 0.76 | 40 | empty |
| 2 | 146 | 0.41 | 0.73 | 19 | empty |
| 3 | 115 | 0.35 | 0.73 | 24 | empty |
| 4 | 80 | 0.29 | 0.72 | 20 | empty |
| 5 | 51 | 0.26 | 0.72 | 15 | empty |
Interfaces
11 interfaces between chains.
- M–N · 1556 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 1553 Ų buried · 4 hydrogen bonds · protein-protein
- K–L · 1544 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 1540 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 1526 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (formylation).
Compared structures
- P61829 · AlphaFold monomer V2.0 prediction for ATP synthase subunit 9, mitochondrial (P61829) · a predicted model of the same protein · chain E 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 P61829
- Elsewhere: RCSB PDB 5BPS · PDBe 5BPS · UniProt P61829
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