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Human ornithine aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(DIFLUOROMETHYL)CYCLOPENT-1-ene-1-carboxylate
Analyse Human ornithine aminotransferase cocrystallized with its inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TEV
- Type
- protein
- Length
- 1,208 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
- I1T
- Pockets
- 13 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ornithine aminotransferase, mitochondrial (EC 2.6.1.13) | protein | 403 | 39% helix, 18% strand | P04181 |
| C | Ornithine aminotransferase, mitochondrial (EC 2.6.1.13) | protein | 402 | 39% helix, 18% strand | P04181 |
Ligands and binding sites
- I1T · (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl) amino]cyclopentane-1-carboxylic acid · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 667 | 0.72 | 0.79 | 46 | empty |
| 2 | 535 | 0.65 | 0.76 | 60 | I1T |
| 3 | 485 | 0.61 | 0.75 | 48 | empty |
| 4 | 224 | 0.55 | 0.78 | 37 | I1T |
| 5 | 255 | 0.55 | 0.77 | 34 | I1T |
Interfaces
2 interfaces between chains.
- A–C · 673 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 485 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7TEV · Human Ornithine Aminotransferase cocrystallized with its inhibitor… · 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 7TEV · PDBe 7TEV · UniProt P04181
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