Molybdenum in PDB 3ns1: Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine

All present enzymatic activity of Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine:
1.17.1.4; 1.17.3.2;

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine, PDB code: 3ns1 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)	45.50 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	134.636, 73.928, 140.353, 90.00, 97.01, 90.00
R / Rfree (%)	21.7 / 26.9

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine 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 6- Mercaptopurine (pdb code 3ns1). 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 6- Mercaptopurine, PDB code: 3ns1:
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 6- Mercaptopurine


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 6- Mercaptopurine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1327 b:34.6 occ:1.00 MO C:MOS1327 0.0 34.6 1.0 O2 C:MOS1327 1.7 34.8 1.0 O1 C:MOS1327 2.0 36.3 1.0 S C:MOS1327 2.1 48.4 1.0 S1' C:MTE1326 2.5 23.9 1.0 S2' C:MTE1326 2.6 24.1 1.0 C1' C:MTE1326 3.3 23.2 1.0 C2' C:MTE1326 3.4 23.1 1.0 OE2 C:GLU1261 4.0 19.1 1.0 CB C:ALA1078 4.1 16.6 1.0 N C:ALA1079 4.2 16.4 1.0 CA C:GLY799 4.2 16.7 1.0 CD C:GLU1261 4.3 19.6 1.0 N C:GLY799 4.3 17.1 1.0 CA C:ALA1078 4.3 16.5 1.0 C C:PHE798 4.5 17.3 1.0 O C:PHE798 4.5 17.8 1.0 CA C:ARG912 4.6 14.9 1.0 CG C:GLU1261 4.7 18.8 1.0 N C:ARG912 4.7 14.4 1.0 NE2 C:GLN767 4.7 17.9 1.0 C6 C:MTE1326 4.8 21.7 1.0 C C:ALA1078 4.8 17.0 1.0 C3' C:MTE1326 4.8 23.6 1.0 C8 C:PM61 4.8 33.2 1.0 OE1 C:GLU1261 4.9 18.4 1.0 OE2 C:GLU802 5.0 23.5 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine


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 6- Mercaptopurine within 5.0Å range: probe atom residue distance (Å) B Occ L:Mo1327 b:37.3 occ:1.00 MO L:MOS1327 0.0 37.3 1.0 O2 L:MOS1327 1.7 42.3 1.0 O1 L:MOS1327 2.0 39.2 1.0 S L:MOS1327 2.1 45.2 1.0 S1' L:MTE1326 2.5 35.2 1.0 S2' L:MTE1326 2.6 29.9 1.0 C2' L:MTE1326 3.5 31.3 1.0 C1' L:MTE1326 3.5 30.7 1.0 OE2 L:GLU1261 4.0 19.4 1.0 CB L:ALA1078 4.1 16.4 1.0 N L:ALA1079 4.2 16.3 1.0 CA L:ALA1078 4.2 16.6 1.0 CA L:GLY799 4.2 17.1 1.0 CD L:GLU1261 4.2 19.9 1.0 N L:GLY799 4.4 17.6 1.0 NE2 L:GLN767 4.6 17.5 1.0 C L:PHE798 4.6 17.1 1.0 CG L:GLU1261 4.6 19.6 1.0 CA L:ARG912 4.7 15.1 1.0 C L:ALA1078 4.7 16.9 1.0 O L:PHE798 4.7 17.4 1.0 OE1 L:GLU1261 4.7 18.6 1.0 OE2 L:GLU802 4.8 23.2 1.0 N L:ARG912 4.8 14.5 1.0 C3' L:MTE1326 4.9 30.6 1.0 C6 L:MTE1326 4.9 28.8 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