Molybdenum in PDB 3nvw: Crystal Structure of Bovine Xanthine Oxidase in Complex with Guanine

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

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

Resolution Low / High (Å)	131.70 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	132.683, 73.396, 138.113, 90.00, 96.97, 90.00
R / Rfree (%)	18.4 / 21.2

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with Guanine 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 Guanine (pdb code 3nvw). 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 Guanine, PDB code: 3nvw:
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 Guanine


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 Guanine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1328 b:11.3 occ:1.00 MO C:MOS1328 0.0 11.3 1.0 O2 C:MOS1328 1.7 15.5 1.0 O1 C:MOS1328 2.0 12.9 1.0 S C:MOS1328 2.1 23.7 1.0 S2' C:MTE1327 2.4 10.2 1.0 S1' C:MTE1327 2.4 9.6 1.0 C2' C:MTE1327 3.3 8.4 1.0 C1' C:MTE1327 3.3 8.8 1.0 OE2 C:GLU1261 3.8 12.4 1.0 CA C:GLY799 4.0 6.3 1.0 N C:GLY799 4.1 6.5 1.0 CD C:GLU1261 4.1 11.2 1.0 N C:ALA1079 4.1 8.6 1.0 CA C:ALA1078 4.2 8.3 1.0 CB C:ALA1078 4.2 7.9 1.0 N2 C:GUN503 4.4 18.8 1.0 CA C:ARG912 4.4 8.1 1.0 NE2 C:GLN767 4.5 7.7 1.0 N C:ARG912 4.5 7.6 1.0 CG C:GLU1261 4.5 9.0 1.0 C C:PHE798 4.5 6.3 1.0 O C:PHE798 4.7 7.1 1.0 C C:ALA1078 4.7 8.7 1.0 OE1 C:GLU1261 4.7 10.0 1.0 OE2 C:GLU802 4.7 13.3 1.0 C6 C:MTE1327 4.8 8.3 1.0 C3' C:MTE1327 4.8 8.0 1.0

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


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 Guanine within 5.0Å range: probe atom residue distance (Å) B Occ L:Mo1328 b:12.5 occ:1.00 MO L:MOS1328 0.0 12.5 1.0 O2 L:MOS1328 1.7 12.2 1.0 O1 L:MOS1328 2.0 12.7 1.0 S L:MOS1328 2.1 22.1 1.0 S1' L:MTE1327 2.3 10.5 1.0 S2' L:MTE1327 2.4 11.0 1.0 C1' L:MTE1327 3.3 9.0 1.0 C2' L:MTE1327 3.3 10.9 1.0 OE2 L:GLU1261 3.7 11.4 1.0 CA L:GLY799 4.0 8.5 1.0 CD L:GLU1261 4.1 11.8 1.0 N L:GLY799 4.1 9.0 1.0 N L:ALA1079 4.2 8.6 1.0 CB L:ALA1078 4.2 8.7 1.0 CA L:ALA1078 4.3 9.0 1.0 CG L:GLU1261 4.4 10.8 1.0 N2 L:GUN503 4.4 19.7 1.0 NE2 L:GLN767 4.5 10.7 1.0 C L:PHE798 4.5 8.8 1.0 CA L:ARG912 4.5 9.2 1.0 N L:ARG912 4.5 8.7 1.0 O L:PHE798 4.7 9.5 1.0 OE1 L:GLU1261 4.7 11.0 1.0 C3' L:MTE1327 4.7 11.6 1.0 C6 L:MTE1327 4.7 10.0 1.0 C L:ALA1078 4.7 8.8 1.0 OE2 L:GLU802 4.8 11.6 1.0

H.Cao, J.Hall, R.Hille. Substrate Orientation and Specificity in Xanthine Oxidase: Crystal Structures of the Enzyme in Complex with Indole-3-Acetaldehyde and Guanine. Biochemistry V. 53 533 2014.
ISSN: ISSN 0006-2960
PubMed: 24397336
DOI: 10.1021/BI401465U