Molybdenum in PDB 3nrz: Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine

All present enzymatic activity of Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine:
1.17.1.4; 1.17.3.2;

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine, PDB code: 3nrz was solved by H.Cao, J.M.Pauff, R.Hille, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.50 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	133.016, 73.645, 138.696, 90.00, 97.05, 90.00
R / Rfree (%)	19.7 / 23.4

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine also contains other interesting chemical elements:

Iron

(Fe)

8 atoms

The binding sites of Molybdenum atom in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine (pdb code 3nrz). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine, PDB code: 3nrz:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1328 b:22.6 occ:1.00 MO C:MOS1328 0.0 22.6 1.0 O2 C:MOS1328 1.7 26.8 1.0 O1 C:MOS1328 2.0 27.3 1.0 S C:MOS1328 2.1 35.5 1.0 S2' C:MTE1327 2.4 19.0 1.0 S1' C:MTE1327 2.4 15.5 1.0 C1' C:MTE1327 3.3 14.7 1.0 C2' C:MTE1327 3.3 16.6 1.0 OE2 C:GLU1261 3.8 20.4 1.0 CD C:GLU1261 4.1 18.1 1.0 N C:ALA1079 4.1 13.9 1.0 CA C:GLY799 4.1 9.7 1.0 N C:GLY799 4.2 9.2 1.0 CA C:ALA1078 4.2 12.5 1.0 CB C:ALA1078 4.4 12.4 1.0 CA C:ARG912 4.4 11.7 1.0 CG C:GLU1261 4.4 16.2 1.0 C C:PHE798 4.5 9.7 1.0 NE2 C:GLN767 4.5 9.8 1.0 N C:ARG912 4.6 11.5 1.0 O C:PHE798 4.7 10.1 1.0 OE2 C:GLU802 4.7 24.5 1.0 OE1 C:GLU1261 4.7 19.7 1.0 C C:ALA1078 4.7 13.3 1.0 C8 C:HPA1 4.7 26.4 1.0 C3' C:MTE1327 4.8 17.3 1.0 C6 C:MTE1327 4.8 14.4 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine within 5.0Å range: probe atom residue distance (Å) B Occ L:Mo1328 b:23.8 occ:1.00 MO L:MOS1328 0.0 23.8 1.0 O2 L:MOS1328 1.7 27.1 1.0 O1 L:MOS1328 2.0 26.9 1.0 S L:MOS1328 2.1 35.1 1.0 S1' L:MTE1327 2.4 16.7 1.0 S2' L:MTE1327 2.5 19.5 1.0 C1' L:MTE1327 3.3 15.9 1.0 C2' L:MTE1327 3.3 17.9 1.0 OE2 L:GLU1261 3.7 23.3 1.0 CD L:GLU1261 4.0 23.9 1.0 CA L:GLY799 4.1 12.3 1.0 N L:ALA1079 4.1 14.5 1.0 N L:GLY799 4.2 12.7 1.0 CA L:ALA1078 4.2 13.2 1.0 CB L:ALA1078 4.2 13.1 1.0 CG L:GLU1261 4.4 20.7 1.0 CA L:ARG912 4.4 13.1 1.0 N L:ARG912 4.5 13.7 1.0 C L:PHE798 4.5 11.7 1.0 NE2 L:GLN767 4.6 11.9 1.0 OE2 L:GLU802 4.7 28.5 1.0 C L:ALA1078 4.7 13.9 1.0 OE1 L:GLU1261 4.7 22.5 1.0 O L:PHE798 4.8 12.3 1.0 C6 L:MTE1327 4.8 15.1 1.0 C3' L:MTE1327 4.8 19.4 1.0 O L:THR1077 5.0 13.5 1.0

H.Cao, J.M.Pauff, R.Hille. Substrate Orientation and Catalytic Specificity in the Action of Xanthine Oxidase: the Sequential Hydroxylation of Hypoxanthine to Uric Acid. J.Biol.Chem. V. 285 28044 2010.
ISSN: ISSN 0021-9258
PubMed: 20615869
DOI: 10.1074/JBC.M110.128561