Brand  (β version)

PDB ID: 5MZI

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Ligands
Code Name Style Show Link
FAD Flavin-adenine dinucleotide PoSSuM
CL Chloride ion PoSSuM
FYK 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 5MZI   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Release Data : 2017-04-19
Compound :
mol_id molecule chains synonym
1 Kynurenine 3-monooxygenase A,B PfKMO,Kynurenine 3-hydroxylase
ec: 1.14.13.9
mutation: C252S C461S
Source :
mol_id organism_scientific expression_system
1 Pseudomonas fluorescens  (taxid:294) Escherichia coli  (taxid:562)
gene: kmo, qbsG
Authors : Rowland, P.
Keywords : KMO, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 1.71 Å )
Citation :

Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.

Walker, A.L.,Ancellin, N.,Beaufils, B.  et al.
(2017)  J. Med. Chem.  60 : 3383 - 3404

PubMed: 28398044
DOI: 10.1021/acs.jmedchem.7b00055

Reaction

Chain : A, B
UniProt : Q84HF5 (KMO_PSEFL)
Reaction: EC: Evidence:
Physiological Direction:
L-kynurenine + NADPH + O2 + H(+) = 3-hydroxy-L-kynurenine + NADP(+) + H2O 1.14.13.9 HAMAP-Rule:MF_01971, PubMed:16973376, PubMed:28604669, PubMed:29429898
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Cofactor: Evidence: Note:
FAD ECO:0000255 | HAMAP-Rule:MF_01971
ECO:0000269 | PubMed:16973376
ECO:0000269 | PubMed:28604669
ECO:0000269 | PubMed:29429898
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