› 4qfd

X-ray diffraction
2.85Å resolution

Co-crystal structure of compound 2 (3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid) and FAD bound to human DAAO at 2.85A

Released:
DOI: 10.2210/pdb4qfd/pdb
PDB entry 4qfd coloured by chain, front view.
PDB entry 4qfd coloured by chain, side view.
PDB entry 4qfd 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
OpenAccess logo 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

Assemblies composition:
homo dimer (preferred)
homo tetramer
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 NA 2 x NA
Ligand 31R 2 x 31R
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P3221
Unit cell:
a: 86.49Å b: 86.49Å c: 187.97Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.25 0.248 0.287
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

4 mentions without citation

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