MolNFT v1 · #139158 · protein
Crystal structure of pseudomonas fluorescens kmo in complex with ro 61-8048
5X6Q · Kynurenine 3-monooxygenase: “Crystal structure of pseudomonas fluorescens kmo in complex with ro 61-8048”. X-ray diffraction, 2 ligands (7ZR, FAD), 3 pockets (best druggability 0.83). MolNFT v1 #139158 on GenesisL1: 3D structure…
- PDB
- 5X6Q
- Type
- protein
- Length
- 445 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kynurenine 3-monooxygenase
- EC
- 1.14.13.9
- UniProt
- Q84HF5
- Ligands
- 7ZR, FAD
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 445 | 40% helix, 22% strand | Q84HF5 |
Ligands and binding sites
- 7ZR · 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide · ligand · 2 copies · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1018 | 0.83 | 0.84 | 95 | FAD, 7ZR |
| 2 | 96 | 0.42 | 0.78 | 20 | empty |
| 3 | 84 | 0.36 | 0.76 | 14 | empty |
Compared structures
- 5X6Q · Crystal structure of Pseudomonas fluorescens KMO in complex with Ro 61-8048 · the same entry in another collection · chain A against A, TM-score 1.00
- Q84HF5 · AlphaFold monomer V2.0 prediction for kynurenine 3-monooxygenase (Q84HF5) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q84HF5
- Elsewhere: RCSB PDB 5X6Q · PDBe 5X6Q · UniProt Q84HF5
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