MolNFT v1 · #188056 · protein
Human ornithine aminotransferase (hoat) soaked with 5-aminovaleric acid
7TA0 · Ornithine aminotransferase, mitochondrial: “Human ornithine aminotransferase (hoat) soaked with 5-aminovaleric acid”. X-ray diffraction, 2 ligands (I3B, PO4), 6 pockets (best druggability 0.78). MolNFT v1 #188056 on GenesisL1: 3D…
- PDB
- 7TA0
- Type
- protein
- Length
- 1,209 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ornithine aminotransferase, mitochondrial
- EC
- 2.6.1.13
- UniProt
- P04181
- Ligands
- I3B, PO4
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Ornithine aminotransferase, mitochondrial (EC 2.6.1.13) | protein | 403 | 37% helix, 19% strand | P04181 |
Ligands and binding sites
- I3B · 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy) methyl]pyridin-4-yl}methyl)amino]pentanoic acid · ligand · 3 copies · chains A, B, C
- PO4 · Phosphate ion · ion · 2 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 425 | 0.78 | 0.87 | 61 | I3B |
| 2 | 418 | 0.76 | 0.86 | 60 | I3B |
| 3 | 621 | 0.72 | 0.80 | 50 | PO4 |
| 4 | 548 | 0.64 | 0.76 | 68 | I3B |
| 5 | 114 | 0.42 | 0.76 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 5334 Ų buried · 78 hydrogen bonds · protein-protein
- B–C · 662 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 201 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent (covalent ligand).
Compared structures
- 7TA0 · Human Ornithine Aminotransferase (hOAT) soaked with 5-aminovaleric acid · the same entry in another collection · chain A against A, TM-score 1.00
- P04181 · AlphaFold monomer V2.0 prediction for ornithine aminotransferase, mitochondrial (P04181) · a predicted model of the same protein · chain A 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 7TA0 · PDBe 7TA0 · UniProt P04181
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