Molybdenum in PDB 3b9j: Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine

All present enzymatic activity of Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine:
1.17.3.2;

The structure of Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine, PDB code: 3b9j was solved by J.M.Pauff, J.Zhang, C.E.Bell, R.Hille, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	144.34 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	133.187, 73.794, 146.498, 90.00, 98.87, 90.00
R / Rfree (%)	19.4 / 26.3

The structure of Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine also contains other interesting chemical elements:

Iron	(Fe)	8 atoms
Calcium	(Ca)	1 atom

The binding sites of Molybdenum atom in the Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine (pdb code 3b9j). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine, PDB code: 3b9j:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1334 b:48.2 occ:1.00 MO C:MOS1334 0.0 48.2 1.0 O2 C:MOS1334 1.7 42.9 1.0 O1 C:MOS1334 2.0 45.8 1.0 S C:MOS1334 2.1 49.3 1.0 S1' C:MTE1333 2.5 31.5 1.0 S2' C:MTE1333 2.6 32.0 1.0 C1' C:MTE1333 3.4 27.3 1.0 C2' C:MTE1333 3.4 29.2 1.0 C8 C:2901335 3.4 31.5 1.0 CA C:GLY799 4.0 13.0 1.0 N C:GLY799 4.1 14.7 1.0 N7 C:2901335 4.2 32.7 1.0 OE2 C:GLU1261 4.2 28.0 1.0 CD C:GLU1261 4.2 25.1 1.0 N C:ALA1079 4.3 19.6 1.0 CA C:ARG912 4.3 17.3 1.0 C C:PHE798 4.3 14.4 1.0 CA C:ALA1078 4.3 18.7 1.0 O C:PHE798 4.4 14.9 1.0 CG C:GLU1261 4.4 25.2 1.0 N9 C:2901335 4.4 31.4 1.0 NE2 C:GLN767 4.5 18.2 1.0 CB C:ALA1078 4.5 18.8 1.0 N C:ARG912 4.5 16.0 1.0 C6 C:MTE1333 4.7 24.0 1.0 C3' C:MTE1333 4.7 27.6 1.0 OE1 C:GLU1261 4.8 26.7 1.0 C C:ALA1078 4.8 18.9 1.0 OE2 C:GLU802 4.8 29.6 1.0 C4' C:MTE1333 4.9 26.6 1.0

Molybdenum binding site 2 out of 2 in the Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Structure of Xanthine Oxidase with 2-Hydroxy-6-Methylpurine within 5.0Å range: probe atom residue distance (Å) B Occ K:Mo1334 b:46.1 occ:1.00 MO K:MOS1334 0.0 46.1 1.0 O2 K:MOS1334 1.7 40.3 1.0 O1 K:MOS1334 2.0 45.1 1.0 S K:MOS1334 2.1 44.1 1.0 S1' K:MTE1333 2.4 31.1 1.0 S2' K:MTE1333 2.6 35.7 1.0 C2' K:MTE1333 3.3 31.7 1.0 C1' K:MTE1333 3.3 30.7 1.0 C8 K:2901335 3.6 22.4 1.0 OE2 K:GLU1261 3.8 23.9 1.0 CD K:GLU1261 4.0 22.3 1.0 N K:ALA1079 4.0 20.0 1.0 CA K:ALA1078 4.0 19.9 1.0 N K:GLY799 4.1 18.4 1.0 N9 K:2901335 4.2 23.1 1.0 CG K:GLU1261 4.3 23.1 1.0 CB K:ALA1078 4.4 18.5 1.0 OE1 K:GLU1261 4.4 25.0 1.0 N K:ARG912 4.5 17.4 1.0 CA K:ARG912 4.5 18.2 1.0 C K:ALA1078 4.5 20.2 1.0 C K:PHE798 4.5 17.8 1.0 N7 K:2901335 4.6 22.8 1.0 OE1 K:GLN767 4.6 17.9 1.0 C3' K:MTE1333 4.7 32.4 1.0 C6 K:MTE1333 4.7 28.8 1.0 OE1 K:GLU802 4.8 28.5 1.0 C4' K:MTE1333 4.8 32.4 1.0 O K:THR1077 4.9 20.5 1.0 O K:PHE798 4.9 16.8 1.0 CA K:GLY799 5.0 19.7 1.0 CA K:ALA1079 5.0 20.3 1.0

J.M.Pauff, J.Zhang, C.E.Bell, R.Hille. Substrate Orientation in Xanthine Oxidase: Crystal Structure of Enzyme in Reaction with 2-Hydroxy-6-Methylpurine. J.Biol.Chem. V. 283 4818 2008.
ISSN: ISSN 0021-9258
PubMed: 18063585
DOI: 10.1074/JBC.M707918200