Molybdenum in PDB 3sr6: Crystal Structure of Reduced Bovine Xanthine Oxidase in Complex with Arsenite

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

The structure of Crystal Structure of Reduced Bovine Xanthine Oxidase in Complex with Arsenite, PDB code: 3sr6 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)	22.10 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	133.046, 73.236, 138.023, 90.00, 96.80, 90.00
R / Rfree (%)	22.5 / 27.2

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

Arsenic	(As)	2 atoms
Iron	(Fe)	8 atoms

The binding sites of Molybdenum atom in the Crystal Structure of Reduced Bovine Xanthine Oxidase in Complex with Arsenite (pdb code 3sr6). 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 Reduced Bovine Xanthine Oxidase in Complex with Arsenite, PDB code: 3sr6:
Jump to Molybdenum binding site number: 1; 2;

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


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 Reduced Bovine Xanthine Oxidase in Complex with Arsenite within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1317 b:25.5 occ:1.00 MO1 C:RMO1317 0.0 25.5 1.0 O2 C:RMO1317 1.7 27.9 1.0 O1 C:RMO1317 2.0 29.4 1.0 S1 C:RMO1317 2.2 33.2 1.0 S2' C:MTE1316 2.3 17.8 1.0 S1' C:MTE1316 2.4 17.3 1.0 C2' C:MTE1316 3.2 18.6 1.0 C1' C:MTE1316 3.3 17.2 1.0 AS1 C:RMO1317 3.3 38.0 1.0 CA C:GLY799 3.9 11.7 1.0 OE2 C:GLU1261 3.9 21.0 1.0 N C:GLY799 3.9 12.1 1.0 CA C:ALA1078 4.2 16.3 1.0 N C:ALA1079 4.2 16.0 1.0 CD C:GLU1261 4.3 20.7 1.0 CB C:ALA1078 4.3 15.9 1.0 C C:PHE798 4.3 12.5 1.0 NE2 C:GLN767 4.4 13.8 1.0 N C:ARG912 4.5 16.0 1.0 CA C:ARG912 4.5 16.5 1.0 O C:PHE798 4.5 13.2 1.0 CG C:GLU1261 4.6 20.8 1.0 C3' C:MTE1316 4.7 18.6 1.0 C6 C:MTE1316 4.7 15.7 1.0 OE2 C:GLU802 4.7 28.1 1.0 C C:ALA1078 4.7 16.3 1.0 O3 C:RMO1317 4.8 40.5 1.0 C4' C:MTE1316 4.9 20.0 1.0 OE1 C:GLU1261 4.9 20.2 1.0 O C:THR1077 4.9 16.7 1.0

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


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 Reduced Bovine Xanthine Oxidase in Complex with Arsenite within 5.0Å range: probe atom residue distance (Å) B Occ L:Mo1317 b:22.3 occ:1.00 MO1 L:RMO1317 0.0 22.3 1.0 O2 L:RMO1317 1.7 23.2 1.0 O1 L:RMO1317 2.1 24.5 1.0 S1 L:RMO1317 2.1 32.9 1.0 S2' L:MTE1316 2.4 20.6 1.0 S1' L:MTE1316 2.4 19.1 1.0 AS1 L:RMO1317 3.1 40.2 1.0 C2' L:MTE1316 3.2 20.5 1.0 C1' L:MTE1316 3.2 20.2 1.0 OE2 L:GLU1261 3.9 20.7 1.0 N L:GLY799 4.0 12.6 1.0 CA L:GLY799 4.1 11.8 1.0 N L:ALA1079 4.2 16.2 1.0 CA L:ALA1078 4.2 16.5 1.0 CD L:GLU1261 4.2 21.1 1.0 CB L:ALA1078 4.3 15.9 1.0 O3 L:RMO1317 4.3 39.4 1.0 C L:PHE798 4.4 12.8 1.0 NE2 L:GLN767 4.5 13.8 1.0 CG L:GLU1261 4.5 20.9 1.0 CA L:ARG912 4.5 16.4 1.0 N L:ARG912 4.6 16.4 1.0 OE2 L:GLU802 4.6 27.7 1.0 C L:ALA1078 4.6 16.3 1.0 C3' L:MTE1316 4.7 20.9 1.0 C6 L:MTE1316 4.7 15.9 1.0 OE1 L:GLU1261 4.7 20.2 1.0 O L:PHE798 4.8 14.2 1.0 C4' L:MTE1316 4.9 23.8 1.0 O L:THR1077 4.9 16.6 1.0

H.Cao, J.Hall, R.Hille. X-Ray Crystal Structure of Arsenite-Inhibited Xanthine Oxidase: Mu-Sulfido,Mu-Oxo Double Bridge Between Molybdenum and Arsenic in the Active Site. J.Am.Chem.Soc. V. 133 12414 2011.
ISSN: ISSN 0002-7863
PubMed: 21761899
DOI: 10.1021/JA2050265