Research workbench
Ornithine aminotransferase complexed with 5-fluoromethylornithine
Analyse Ornithine aminotransferase complexed with 5-fluoromethylornithine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2OAT
- Type
- protein
- Length
- 1,212 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ornithine aminotransferase
- EC
- 2.6.1.13
- UniProt
- P04181
- Ligands
- PFM
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Ornithine aminotransferase (EC 2.6.1.13) | protein | 404 | 38% helix, 19% strand | P04181 |
Ligands and binding sites
- PFM · 1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 373 | 0.77 | 0.87 | 56 | PFM |
| 2 | 441 | 0.77 | 0.85 | 60 | PFM |
| 3 | 631 | 0.73 | 0.80 | 49 | empty |
| 4 | 297 | 0.56 | 0.77 | 42 | PFM |
| 5 | 272 | 0.52 | 0.75 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–B · 5276 Ų buried · 76 hydrogen bonds · protein-protein
- B–C · 674 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 201 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2OAT · Ornithine aminotransferase complexed with 5-fluoromethylornithine · 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 2OAT · PDBe 2OAT · UniProt P04181
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