MolNFT v1 · #140298 · protein
Crystal structure of pseudomonas fluorescens kynurenine 3- monooxygenase in complex with L-kyn and RO61-8048
5Y66 · Kynurenine 3-monooxygenase: “Crystal structure of pseudomonas fluorescens kynurenine 3- monooxygenase in complex with L-kyn and RO61-8048”. X-ray diffraction, 3 ligands (FAD, 7ZR, KYN), 3 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 5Y66
- Type
- protein
- Length
- 449 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
- FAD, 7ZR, KYN
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kynurenine 3-monooxygenase (EC 1.14.13.9) | protein | 449 | 42% helix, 22% strand | Q84HF5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- 7ZR · 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide · ligand · chains A
- KYN · (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1010 | 0.80 | 0.81 | 98 | FAD, KYN |
| 2 | 510 | 0.73 | 0.81 | 43 | 7ZR |
| 3 | 58 | 0.30 | 0.75 | 15 | empty |
Compared structures
- 5Y66 · Crystal structure of Pseudomonas fluorescens Kynurenine 3-monooxygenase in complex with… · 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 0.98
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 5Y66 · PDBe 5Y66 · UniProt Q84HF5
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