› 5nag

X-ray diffraction
1.68Å resolution

Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(pyridin-2-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid

Released:
DOI: 10.2210/pdb5nag/pdb
Model geometry
Fit model/data
PDB entry 5nag coloured by chain, front view.
PDB entry 5nag coloured by chain, side view.
PDB entry 5nag coloured by chain, top view.
Source organism: Pseudomonas fluorescens
Primary publication:
Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Hutchinson JP, Rowland P, Taylor MRD, Christodoulou EM, Haslam C, Hobbs CI, Holmes DS, Homes P, Liddle J, Mole DJ, Uings I, Walker AL, Webster SP, Mowat CG, Chung CW
OpenAccess logo Nat Commun 8 15827 (2017)
PMID: 28604669

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
1 bound ligand:
Ligand 8R5 2 x 8R5
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P21
Unit cell:
a: 69.672Å b: 52.953Å c: 135.542Å
α: 90° β: 103.6° γ: 90°
R-values:
R R work R free
0.17 0.169 0.198
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

4 mentions without citation

A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Zhang et al. (2019)
3 more