Arsenic in the structure of Crystal Structure Of Reduced Form of Bovine Xanthine Oxidase in Complex With Arsenite (pdb 3rca)

The binding sites of Arsenic atom in the structure of Crystal Structure Of Reduced Form of Bovine Xanthine Oxidase in Complex With Arsenite (pdb code 3rca). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3rca structure was solved by H.CAO, R.HILLE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 22.1-2.1 Space group P1211 a (A) 133.046 b (A) 73.236 c (A) 138.023 alpha (°) 90.00 beta (°) 96.80 gamma (°) 90.00 Rfactor (%) 22.5 Rfree (%) 27.2 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 3rca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3rca. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Glu802, C: Ala910, C: Phe914, C: Ala1078, C: Ala1079, C: Glu1261, C: Mte1316, C: Rmo1317, conact list: Atom Atom Distance (A) As OE2 C:Glu802 3.91 As CD C:Glu802 4.95 As CB C:Ala910 4.41 As CB C:Phe914 3.73 As CD1 C:Phe914 3.34 As CD2 C:Phe914 4.55 As CZ C:Phe914 4.89 As CE1 C:Phe914 4.05 As CG C:Phe914 3.66 As CA C:Phe914 4.83 As C C:Ala1078 4.72 As CB C:Ala1078 4.22 As CA C:Ala1078 4.78 As N C:Ala1079 3.72 As CB C:Ala1079 4.85 As CA C:Ala1079 4.16 As OE1 C:Glu1261 4.45 As OE2 C:Glu1261 3.22 As CD C:Glu1261 4.11 As S2' C:Mte1316 4.51 As S1 C:Rmo1317 1.63 As O2 C:Rmo1317 3.79 As O1 C:Rmo1317 2.14 As MO1 C:Rmo1317 3.34 As AS1 C:Rmo1317 0.00 As O3 C:Rmo1317 1.82 interactive model: Arsenic binding site 2 out of 2 in 3rca Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3rca. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: L: Glu802, L: Ala910, L: Phe914, L: Ala1078, L: Ala1079, L: Glu1261, L: Mte1316, L: Rmo1317, conact list: Atom Atom Distance (A) As OE2 L:Glu802 3.81 As CD L:Glu802 4.84 As CB L:Ala910 4.15 As N L:Phe914 4.88 As CB L:Phe914 3.73 As CD1 L:Phe914 3.32 As CD2 L:Phe914 4.67 As CE1 L:Phe914 4.09 As CG L:Phe914 3.72 As CA L:Phe914 4.73 As C L:Ala1078 4.93 As CB L:Ala1078 4.32 As CA L:Ala1078 4.91 As N L:Ala1079 3.92 As CA L:Ala1079 4.44 As OE1 L:Glu1261 4.40 As OE2 L:Glu1261 3.17 As CD L:Glu1261 4.05 As S2' L:Mte1316 4.60 As S1 L:Rmo1317 2.26 As O2 L:Rmo1317 3.75 As O1 L:Rmo1317 1.83 As MO1 L:Rmo1317 3.12 As AS1 L:Rmo1317 0.00 As O3 L:Rmo1317 1.82 interactive model: