MolNFT v1 · #14470 · protein
Rat liver F1-ATPase
1MAB · Protein (F1-ATPase alpha chain): “Rat liver F1-ATPase”. X-ray diffraction, 4 ligands (ATP, ADP, MG), 17 pockets (best druggability 0.86). MolNFT v1 #14470 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1MAB
- Type
- protein
- Length
- 1,102 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (F1-ATPase alpha chain); Protein (F1-ATPase beta chain); Protein (F1-ATPase gamma…
- EC
- 3.6.1.34
- UniProt
- P15999, P10719, P35435
- Ligands
- ATP, ADP, MG, PO4
- Pockets
- 17 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (F1-ATPase alpha chain) (EC 3.6.1.34) | protein | 501 | 33% helix, 15% strand | P15999 |
| B | Protein (F1-ATPase beta chain) (EC 3.6.1.34) | protein | 477 | 31% helix, 16% strand | P10719 |
| G | Protein (F1-ATPase gamma chain) (EC 3.6.1.34) | protein | 124 | 73% helix, 0% strand | P35435 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A, B
- ADP · Adenosine-5'-diphosphate · ligand · chains B
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1044 | 0.86 | 0.87 | 114 | MG, ATP |
| 2 | 625 | 0.82 | 0.87 | 66 | empty |
| 3 | 577 | 0.69 | 0.78 | 43 | empty |
| 4 | 370 | 0.63 | 0.78 | 55 | PO4, ADP |
| 5 | 102 | 0.63 | 0.88 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2405 Ų buried · 26 hydrogen bonds · protein-protein
- B–G · 265 Ų buried · 0 hydrogen bonds · protein-protein
- A–G · 206 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1MAB · Rat liver F1-ATPase · the same entry in another collection · chain A against A, TM-score 1.00
- P15999 · AlphaFold monomer V2.0 prediction for ATP synthase subunit alpha, mitochondrial (P15999) · a predicted model of the same protein · chain A against A, TM-score 0.95
- P10719 · AlphaFold monomer V2.0 prediction for ATP synthase subunit beta, mitochondrial (P10719) · a predicted model of the same protein · chain B against A, TM-score 0.86
- P35435 · AlphaFold monomer V2.0 prediction for ATP synthase subunit gamma, mitochondrial (P35435) · a predicted model of the same protein · chain G against A, TM-score 0.83
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 P15999
- Every structure of UniProt P10719
- Every structure of UniProt P35435
- Elsewhere: RCSB PDB 1MAB · PDBe 1MAB · UniProt P15999 · UniProt P10719 · UniProt P35435
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