MolNFT v1 · #108894 · protein
High resolution crystal structure of human kynurenine aminotransferase-I bound to plp cofactor
4WLH · Kynurenine--oxoglutarate transaminase 1: “High resolution crystal structure of human kynurenine aminotransferase-I bound to plp cofactor”. X-ray diffraction, 9 pockets (best druggability 0.73). MolNFT v1 #108894 on GenesisL1: 3D…
- PDB
- 4WLH
- Type
- protein
- Length
- 825 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kynurenine--oxoglutarate transaminase 1
- EC
- 2.6.1.7, 4.4.1.13, 2.6.1.64
- UniProt
- Q16773
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine--oxoglutarate transaminase 1 (EC 2.6.1.7, 4.4.1.13, 2.6.1.64) | protein | 413 | 47% helix, 15% strand | Q16773 |
| B | Kynurenine--oxoglutarate transaminase 1 (EC 2.6.1.7, 4.4.1.13, 2.6.1.64) | protein | 412 | 48% helix, 15% strand | Q16773 |
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.73 | 0.99 | 21 | empty |
| 2 | 338 | 0.72 | 0.84 | 43 | empty |
| 3 | 506 | 0.72 | 0.81 | 55 | empty |
| 4 | 143 | 0.57 | 0.83 | 29 | empty |
| 5 | 111 | 0.52 | 0.82 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 3059 Ų buried · 52 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 4WLH · High resolution crystal structure of human kynurenine aminotransferase-I bound to PLP… · the same entry in another collection · chain A against A, TM-score 1.00
- Q16773 · AlphaFold monomer V2.0 prediction for kynurenine--oxoglutarate transaminase 1 (Q16773) · 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 Q16773
- Elsewhere: RCSB PDB 4WLH · PDBe 4WLH · UniProt Q16773
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