› 3unc

X-ray diffraction
1.65Å resolution

Crystal Structure of Bovine Milk Xanthine Dehydrogenase to 1.65A Resolution

Released:
DOI: 10.2210/pdb3unc/pdb
PDB entry 3unc coloured by chain, front view.
PDB entry 3unc coloured by chain, side view.
PDB entry 3unc coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Protein conformational gating of enzymatic activity in xanthine oxidoreductase.
Ishikita H, Eger BT, Okamoto K, Nishino T, Pai EF
J Am Chem Soc 134 999-1009 (2012)
PMID: 22145797

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:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160413 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:

Ligands and Environments


Cofactor: Ligand MTE 2 x MTE

Cofactor: Ligand FAD 2 x FAD
6 bound ligands:
Ligand FES 4 x FES
Ligand MOS 2 x MOS
Ligand SAL 2 x SAL
Ligand GOL 24 x GOL
Ligand CO3 2 x CO3
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL44B2
Spacegroup: C2
Unit cell:
a: 167.573Å b: 124.37Å c: 148.177Å
α: 90° β: 91.02° γ: 90°
R-values:
R R work R free
0.177 0.177 0.196

Quick links

Citations

7 review citations

Proton transfer reactions and hydrogen-bond networks in protein environments.
Ishikita et al. (2014)
6 more

4 mentions without citation

Electronic structure contributions to reactivity in xanthine oxidase family enzymes.
Stein et al. (2015)
3 more