Molybdenum in PDB 3nvz: Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde

All present enzymatic activity of Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde:
1.17.1.4; 1.17.3.2;

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde, PDB code: 3nvz 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)	45.20 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	133.409, 73.704, 138.922, 90.00, 97.12, 90.00
R / Rfree (%)	21.5 / 24.6

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde 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 Indole-3- Aldehyde (pdb code 3nvz). 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 Indole-3- Aldehyde, PDB code: 3nvz:
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 Indole-3- Aldehyde


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 Indole-3- Aldehyde within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1327 b:20.8 occ:1.00 MO C:MOS1327 0.0 20.8 1.0 O2 C:MOS1327 1.7 20.7 1.0 O1 C:MOS1327 2.0 23.1 1.0 S C:MOS1327 2.1 33.7 1.0 S1' C:MTE1326 2.4 16.9 1.0 S2' C:MTE1326 2.5 19.1 1.0 C1' C:MTE1326 3.3 15.3 1.0 C2' C:MTE1326 3.4 16.8 1.0 OE2 C:GLU1261 3.7 18.4 1.0 CD C:GLU1261 4.1 15.4 1.0 CA C:GLY799 4.1 10.1 1.0 N C:ALA1079 4.2 13.6 1.0 N C:GLY799 4.2 10.6 1.0 CA C:ALA1078 4.2 13.2 1.0 CB C:ALA1078 4.3 12.7 1.0 CA C:ARG912 4.4 12.8 1.0 N C:ARG912 4.5 12.1 1.0 CG C:GLU1261 4.5 14.0 1.0 C C:PHE798 4.5 10.3 1.0 NE2 C:GLN767 4.5 12.8 1.0 O C:PHE798 4.6 12.2 1.0 OE1 C:GLU1261 4.7 16.4 1.0 OE2 C:GLU802 4.7 21.4 1.0 C C:ALA1078 4.7 13.2 1.0 C6 C:MTE1326 4.8 15.6 1.0 C3' C:MTE1326 4.8 16.7 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde


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 Indole-3- Aldehyde within 5.0Å range: probe atom residue distance (Å) B Occ L:Mo1327 b:22.5 occ:1.00 MO L:MOS1327 0.0 22.5 1.0 O2 L:MOS1327 1.7 25.3 1.0 O1 L:MOS1327 2.0 22.9 1.0 S L:MOS1327 2.1 34.8 1.0 S1' L:MTE1326 2.3 18.7 1.0 S2' L:MTE1326 2.5 19.1 1.0 C1' L:MTE1326 3.3 19.5 1.0 C2' L:MTE1326 3.3 19.7 1.0 OE2 L:GLU1261 3.7 17.5 1.0 CD L:GLU1261 4.0 19.3 1.0 CA L:GLY799 4.1 13.2 1.0 N L:ALA1079 4.2 12.9 1.0 N L:GLY799 4.2 12.8 1.0 CB L:ALA1078 4.3 13.2 1.0 CA L:ALA1078 4.3 13.1 1.0 CA L:ARG912 4.4 14.1 1.0 N L:ARG912 4.4 13.3 1.0 CG L:GLU1261 4.5 17.0 1.0 C L:PHE798 4.5 12.7 1.0 NE2 L:GLN767 4.5 12.0 1.0 OE1 L:GLU1261 4.6 19.2 1.0 O L:PHE798 4.6 14.2 1.0 C L:ALA1078 4.7 12.7 1.0 C6 L:MTE1326 4.8 18.3 1.0 C3' L:MTE1326 4.8 20.4 1.0 OE2 L:GLU802 4.8 23.8 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