MolNFT v1 · #58112 · protein
Crystal structure of pyrococcus horikoshii kynurenine aminotransferase in complex with four akgs as substrates and allosteric effectors
3ATH · Putative uncharacterized protein PH0207: “Crystal structure of pyrococcus horikoshii kynurenine aminotransferase in complex with four akgs as…”. X-ray diffraction, 2 ligands (AKG, PLP), 6 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 3ATH
- Type
- protein
- Length
- 808 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein PH0207
- EC
- 2.6.1.7
- UniProt
- O57946
- Ligands
- AKG, PLP
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Putative uncharacterized protein PH0207 (EC 2.6.1.7) | protein | 404 | 49% helix, 16% strand | O57946 |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · 4 copies · chains A, C
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 983 | 0.80 | 0.81 | 88 | PLP, AKG |
| 2 | 871 | 0.78 | 0.81 | 73 | AKG |
| 3 | 108 | 0.51 | 0.81 | 22 | empty |
| 4 | 96 | 0.34 | 0.73 | 32 | empty |
| 5 | 65 | 0.31 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–C · 3621 Ų buried · 55 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 3ATH · Crystal structure of Pyrococcus horikoshii kynurenine aminotransferase in complex with… · the same entry in another collection · 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 O57946
- Elsewhere: RCSB PDB 3ATH · PDBe 3ATH · UniProt O57946
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