MolNFT v1 · #95857 · protein
Crystal structure of kynurenine 3-monooxygenase (kmo-396PROT-se)
4J2W: “Crystal structure of kynurenine 3-monooxygenase (kmo-396PROT-se)”. X-ray diffraction, 1 ligand (FAD), 5 pockets (best druggability 0.82). MolNFT v1 #95857 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4J2W
- Type
- protein
- Length
- 758 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kynurenine 3-monooxygenase
- EC
- 1.14.13.9
- UniProt
- P38169
- Ligands
- FAD
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 383 | 32% helix, 26% strand | P38169 |
| B | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 375 | 35% helix, 28% strand | P38169 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 919 | 0.82 | 0.84 | 78 | FAD |
| 2 | 870 | 0.82 | 0.84 | 78 | FAD |
| 3 | 362 | 0.59 | 0.76 | 54 | empty |
| 4 | 285 | 0.52 | 0.75 | 28 | empty |
| 5 | 51 | 0.25 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 531 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4J2W · Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot-Se) · the same entry in another collection · chain A against A, TM-score 1.00
- P38169 · AlphaFold monomer V2.0 prediction for kynurenine 3-monooxygenase (P38169) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P38169
- Elsewhere: RCSB PDB 4J2W · PDBe 4J2W · UniProt P38169
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