Research workbench
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: hydration state 1.
Analyse Low resolution structures of bovine mitochondrial F1-ATPase during controlled… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2W6E
- Type
- protein
- Length
- 2,979 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP synthase subunit alpha heart isoform, mitochondrial; ATP synthase subunit beta…
- EC
- 3.6.3.14
- UniProt
- P19483, P00829, P05631
- Ligands
- ADP
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 6 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP synthase subunit alpha heart isoform, mitochondrial (EC 3.6.3.14) | protein | 487 | 43% helix, 20% strand | P19483 |
| B | ATP synthase subunit alpha heart isoform, mitochondrial (EC 3.6.3.14) | protein | 479 | 41% helix, 21% strand | P19483 |
| C | ATP synthase subunit alpha heart isoform, mitochondrial (EC 3.6.3.14) | protein | 492 | 41% helix, 20% strand | P19483 |
| D | ATP synthase subunit beta, mitochondrial (EC 3.6.3.14) | protein | 467 | 38% helix, 21% strand | P00829 |
| E, F | ATP synthase subunit beta, mitochondrial (EC 3.6.3.14) | protein | 466 | 38% helix, 21% strand | P00829 |
| G | ATP synthase subunit gamma, mitochondrial (EC 3.6.3.14) | protein | 122 | 89% helix, 0% strand | P05631 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1102 | 0.88 | 0.89 | 108 | empty |
| 2 | 1077 | 0.87 | 0.89 | 114 | empty |
| 3 | 1038 | 0.87 | 0.89 | 112 | empty |
| 4 | 794 | 0.84 | 0.87 | 97 | empty |
| 5 | 733 | 0.83 | 0.86 | 99 | empty |
Interfaces
13 interfaces between chains.
- C–D · 2959 Ų buried · 40 hydrogen bonds · protein-protein
- A–D · 2456 Ų buried · 26 hydrogen bonds · protein-protein
- C–F · 2173 Ų buried · 18 hydrogen bonds · protein-protein
- B–F · 2120 Ų buried · 30 hydrogen bonds · protein-protein
- B–E · 1872 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 2W6E · Low resolution structures of bovine mitochondrial F1-ATPase during controlled… · the same entry in another collection · chain E against E, TM-score 1.00
- P19483 · AlphaFold monomer V2.0 prediction for ATP synthase subunit alpha, mitochondrial (P19483) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P00829 · AlphaFold monomer V2.0 prediction for ATP synthase subunit beta, mitochondrial (P00829) · a predicted model of the same protein · chain E against A, TM-score 0.98
- P05631 · AlphaFold monomer V2.0 prediction for ATP synthase subunit gamma, mitochondrial (P05631) · a predicted model of the same protein · chain G against A, TM-score 0.96
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 P19483
- Every structure of UniProt P00829
- Every structure of UniProt P05631
- Elsewhere: RCSB PDB 2W6E · PDBe 2W6E · UniProt P19483 · UniProt P00829 · UniProt P05631
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