Research workbench
Crystal structure of homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex
Analyse Crystal structure of homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3E9K
- Type
- protein
- Length
- 446 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kynureninase
- EC
- 3.7.1.3
- UniProt
- Q16719
- Ligands
- PLP, 3XH
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynureninase (EC 3.7.1.3) | protein | 446 | 46% helix, 15% strand | Q16719 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.49 | 0.75 | 23 | empty |
| 2 | 63 | 0.43 | 0.81 | 17 | empty |
| 3 | 77 | 0.37 | 0.76 | 19 | empty |
| 4 | 50 | 0.28 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 1 cofactor, 1 modified (pyridoxal phosphate Schiff base, oxidation).
Compared structures
- 3E9K · Crystal structure of Homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q16719 · AlphaFold monomer V2.0 prediction for kynureninase (Q16719) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q16719
- Elsewhere: RCSB PDB 3E9K · PDBe 3E9K · UniProt Q16719
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