› 3etr

X-ray diffraction
2.2Å resolution

Crystal structure of xanthine oxidase in complex with lumazine

Released:
DOI: 10.2210/pdb3etr/pdb
PDB entry 3etr coloured by chain, front view.
PDB entry 3etr coloured by chain, side view.
PDB entry 3etr coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: CRYSTAL STRUCTURES IN COMPLEX WITH XANTHINE AND LUMAZINE.
Pauff JM, Cao H, Hille R
J Biol Chem 284 8760-7 (2009)
PMID: 19109252

Function and Biology Details

Reactions catalysed: 
Xanthine + NAD(+) + H(2)O = urate + NADH
Xanthine + H(2)O + O(2) = urate + H(2)O(2)
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
hetero hexamer
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160412 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Xanthine dehydrogenase/oxidase Chains: A, L
Molecule details ›
Chains: A, L
Length: 164 amino acids
Theoretical weight: 18 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P80457 (Residues: 2-165; Coverage: 12%)
Gene name: XDH
Sequence domains:
Structure domains:
Xanthine dehydrogenase/oxidase Chains: B, M
Molecule details ›
Chains: B, M
Length: 305 amino acids
Theoretical weight: 34.02 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P80457 (Residues: 224-528; Coverage: 23%)
Gene name: XDH
Sequence domains:
Structure domains:
Xanthine dehydrogenase/oxidase Chains: C, N
Molecule details ›
Chains: C, N
Length: 755 amino acids
Theoretical weight: 82.97 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P80457 (Residues: 571-1325; Coverage: 57%)
Gene name: XDH
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD

Cofactor: Ligand MTE 2 x MTE
4 bound ligands:
Ligand FES 4 x FES
Ligand MOS 2 x MOS
Ligand LUZ 2 x LUZ
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21
Unit cell:
a: 133.19Å b: 73.491Å c: 146.505Å
α: 90° β: 98.68° γ: 90°
R-values:
R R work R free
0.201 0.197 0.267

Quick links

Citations

8 review citations

The mononuclear molybdenum enzymes.
Hille et al. (2014)
7 more

5 mentions without citation

Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: CRYSTAL STRUCTURES IN COMPLEX WITH XANTHINE AND LUMAZINE.
Pauff et al. (2009)
4 more