Arsenic in PDB 3nvv: Crystal Structure of Bovine Xanthine Oxidase in Complex with Arsenite

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

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with Arsenite, PDB code: 3nvv 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)	131.80 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	132.766, 73.418, 138.158, 90.00, 96.93, 90.00
R / Rfree (%)	19.3 / 22.9

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

Molybdenum	(Mo)	2 atoms
Iron	(Fe)	8 atoms

The binding sites of Arsenic atom in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Arsenite (pdb code 3nvv). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Arsenite, PDB code: 3nvv:
Jump to Arsenic binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Bovine Xanthine Oxidase in Complex with Arsenite within 5.0Å range: probe atom residue distance (Å) B Occ C:As1 b:22.7 occ:1.00 AS C:AST1 0.0 22.7 1.0 O3 C:AST1 1.8 21.3 1.0 O2 C:AST1 2.0 23.1 1.0 O1 C:MOS1327 2.0 20.8 1.0 S C:MOS1327 2.6 32.2 1.0 MO C:MOS1327 3.2 18.1 1.0 CD1 C:PHE914 3.2 13.4 1.0 OE2 C:GLU1261 3.4 17.1 1.0 OE2 C:GLU802 3.6 21.4 1.0 CG C:PHE914 3.6 14.1 1.0 CB C:PHE914 3.7 13.3 1.0 O2 C:MOS1327 3.8 24.1 1.0 N C:ALA1079 3.9 13.5 1.0 CE1 C:PHE914 4.0 15.4 1.0 CB C:ALA910 4.1 12.5 1.0 CD C:GLU1261 4.2 14.0 1.0 CB C:ALA1078 4.4 13.0 1.0 CA C:ALA1079 4.4 13.6 1.0 O C:HOH306 4.4 23.8 1.0 CD2 C:PHE914 4.5 14.2 1.0 OE1 C:GLU1261 4.5 14.4 1.0 S2' C:MTE1326 4.6 14.4 1.0 CD C:GLU802 4.7 19.3 1.0 CZ C:PHE914 4.8 15.5 1.0 CA C:PHE914 4.9 13.4 1.0 CA C:ALA1078 5.0 13.2 1.0 C C:ALA1078 5.0 13.1 1.0

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


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Bovine Xanthine Oxidase in Complex with Arsenite within 5.0Å range: probe atom residue distance (Å) B Occ L:As1 b:26.3 occ:1.00 AS L:AST1 0.0 26.3 1.0 O3 L:AST1 1.8 26.5 1.0 O1 L:MOS1327 1.9 13.0 1.0 O2 L:AST1 2.0 31.5 1.0 S L:MOS1327 2.5 29.1 1.0 CD1 L:PHE914 3.2 14.9 1.0 MO L:MOS1327 3.2 19.4 1.0 OE2 L:GLU1261 3.4 17.9 1.0 CG L:PHE914 3.6 15.8 1.0 OE2 L:GLU802 3.7 24.0 1.0 CB L:PHE914 3.8 16.5 1.0 CE1 L:PHE914 3.9 17.7 1.0 O2 L:MOS1327 3.9 19.3 1.0 N L:ALA1079 4.0 14.6 1.0 CB L:ALA910 4.0 14.3 1.0 CD L:GLU1261 4.2 17.8 1.0 O L:HOH1499 4.4 27.7 1.0 CB L:ALA1078 4.4 14.6 1.0 CA L:ALA1079 4.5 15.6 1.0 CD2 L:PHE914 4.5 16.0 1.0 OE1 L:GLU1261 4.6 17.3 1.0 S2' L:MTE1326 4.6 16.0 1.0 CZ L:PHE914 4.7 17.0 1.0 CD L:GLU802 4.8 20.7 1.0 CA L:PHE914 4.9 16.6 1.0 CA L:ALA1078 4.9 14.2 1.0 O L:HOH549 4.9 19.3 1.0 C L:ALA1078 4.9 14.5 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