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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 3nvv:

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

Arsenic Binding Sites:

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 3nvv

Go back to Arsenic Binding Sites List in 3nvv
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 3nvv

Go back to Arsenic Binding Sites List in 3nvv
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

Reference:

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
Page generated: Tue Oct 27 16:51:26 2020

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