MolNFT v1 · #188057 · protein
Human ornithine aminotransferase (hoat) soaked with gamma-aminobutyric acid
7TA1 · Ornithine aminotransferase, mitochondrial: “Human ornithine aminotransferase (hoat) soaked with gamma-aminobutyric acid”. X-ray diffraction, 2 ligands (PLZ, PLP), 20 pockets (best druggability 0.78). MolNFT v1 #188057 on GenesisL1…
- PDB
- 7TA1
- Type
- protein
- Length
- 2,421 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ornithine aminotransferase, mitochondrial
- EC
- 2.6.1.13
- UniProt
- P04181
- Ligands
- PLZ, PLP
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E | Ornithine aminotransferase, mitochondrial (EC 2.6.1.13) | protein | 404 | 39% helix, 18% strand | P04181 |
| D | Ornithine aminotransferase, mitochondrial (EC 2.6.1.13) | protein | 402 | 39% helix, 18% strand | P04181 |
| F | Ornithine aminotransferase, mitochondrial (EC 2.6.1.13) | protein | 403 | 37% helix, 20% strand | P04181 |
Ligands and binding sites
- PLZ · 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy) methyl]pyridin-4-yl}methyl)amino]butanoic acid · ligand · 4 copies · chains A, B, C, D
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1187 | 0.78 | 0.80 | 109 | PLP |
| 2 | 1188 | 0.78 | 0.80 | 105 | empty |
| 3 | 400 | 0.74 | 0.85 | 57 | PLP |
| 4 | 967 | 0.74 | 0.77 | 78 | empty |
| 5 | 609 | 0.66 | 0.76 | 64 | PLZ |
Interfaces
8 interfaces between chains.
- E–F · 5246 Ų buried · 84 hydrogen bonds · protein-protein
- C–F · 630 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 628 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 361 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 283 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7TA1 · Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid · the same entry in another collection · chain F against F, TM-score 1.00
- P04181 · AlphaFold monomer V2.0 prediction for ornithine aminotransferase, mitochondrial (P04181) · a predicted model of the same protein · chain F against A, TM-score 1.00
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 P04181
- Elsewhere: RCSB PDB 7TA1 · PDBe 7TA1 · UniProt P04181
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