› 4qfc

X-ray diffraction
2.4Å resolution

Co-crystal structure of compound 3 (4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)ethyl]pyridazin-3(2h)-one) and FAD bound to human DAAO at 2.4A

Released:
DOI: 10.2210/pdb4qfc/pdb
PDB entry 4qfc coloured by chain, front view.
PDB entry 4qfc coloured by chain, side view.
PDB entry 4qfc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel human D-amino acid oxidase inhibitors stabilize an active-site lid-open conformation.
Terry-Lorenzo RT, Chun LE, Brown SP, Heffernan ML, Fang QK, Orsini MA, Pollegioni L, Hardy LW, Spear KL, Large TH
Biosci Rep 34 (2014)
PMID: 25001371

Function and Biology Details

Reaction catalysed: 
A D-amino acid + H(2)O + O(2) = a 2-oxo carboxylate + NH(3) + H(2)O(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147153 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-amino-acid oxidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 347 amino acids
Theoretical weight: 39.52 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P14920 (Residues: 1-347; Coverage: 100%)
Gene names: DAMOX, DAO
Sequence domains: FAD dependent oxidoreductase
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD
2 bound ligands:
Ligand 31T 2 x 31T
Ligand K 1 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 44.39Å b: 60.93Å c: 258.45Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.176 0.227
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Human D-Amino Acid Oxidase: Structure, Function, and Regulation.
Pollegioni et al. (2018)
2 more

2 mentions without citation

Competitive Inhibitors Unveil Structure/Function Relationships in Human D-Amino Acid Oxidase.
Molla G. (2017)
1 more