› 5mzc

X-ray diffraction
1.82Å resolution

Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-ethoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

Released:
DOI: 10.2210/pdb5mzc/pdb
PDB entry 5mzc coloured by chain, front view.
PDB entry 5mzc coloured by chain, side view.
PDB entry 5mzc coloured by chain, top view.
Source organism: Pseudomonas fluorescens
Primary publication:
Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
Walker AL, Ancellin N, Beaufils B, Bergeal M, Binnie M, Bouillot A, Clapham D, Denis A, Haslam CP, Holmes DS, Hutchinson JP, Liddle J, McBride A, Mirguet O, Mowat CG, Rowland P, Tiberghien N, Trottet L, Uings I, Webster SP, Zheng X, Mole DJ
J Med Chem 60 3383-3404 (2017)
PMID: 28398044

Function and Biology Details

Reaction catalysed: 
L-kynurenine + NADPH + O(2) = 3-hydroxy-L-kynurenine + NADP(+) + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183045 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kynurenine 3-monooxygenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 461 amino acids
Theoretical weight: 50.74 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q84HF5 (Residues: 1-461; Coverage: 100%)
Gene names: kmo, qbsG
Sequence domains: FAD binding domain
Structure domains: FAD/NAD(P)-binding domain

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD
3 bound ligands:
Ligand CL 2 x CL
Ligand 8EQ 5 x 8EQ
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21
Unit cell:
a: 69.48Å b: 53.31Å c: 135.84Å
α: 90° β: 104.5° γ: 90°
R-values:
R R work R free
0.177 0.175 0.21
Expression system: Escherichia coli

Quick links

Citations

6 review citations

IDO and Kynurenine Metabolites in Peripheral and CNS Disorders.
Huang et al. (2020)
5 more

3 mentions without citation

Characterization of PlGoxB, a flavoprotein required for cysteine tryptophylquinone biosynthesis in glycine oxidase from Pseudoalteromonas luteoviolacea.
Mamounis et al. (2019)
2 more