Arsenic in the structure of Crystal Structure of A Putative Peptidase/Endoglucanase (pdb 1vho)

The binding sites of Arsenic atom in the structure of Crystal Structure of A Putative Peptidase/Endoglucanase (pdb code 1vho). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1vho structure was solved by STRUCTURAL GENOMIX, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 42.6-1.9 Space group P41212 a (A) 120.453 b (A) 120.453 c (A) 57.627 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.2 Rfree (%) 24.5 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 1vho Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1vho. 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: A: Glu108, A: Arg109, A: Gly110, A: Val136, A: Asp137, A: Leu140, A: Cys141, A: Val145, A: Cac350, A: Hoh384, A: Hoh390, conact list: Atom Atom Distance (A) As OE1 A:Glu108 4.67 As CB A:Glu108 4.36 As O A:Arg109 3.96 As N A:Arg109 4.95 As C A:Arg109 4.48 As N A:Gly110 4.83 As CA A:Gly110 4.64 As CG2 A:Val136 4.89 As O A:Asp137 4.65 As O A:Leu140 4.67 As C A:Leu140 4.44 As N A:Cys141 3.91 As CB A:Cys141 3.09 As SG A:Cys141 2.15 As CA A:Cys141 3.61 As CG2 A:Val145 4.92 As O1 A:Cac350 1.86 As AS A:Cac350 0.00 As C2 A:Cac350 2.00 As C1 A:Cac350 1.94 As O A:Hoh384 4.94 As O A:Hoh390 4.99 interactive model: Arsenic binding site 2 out of 2 in 1vho Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1vho. 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: A: Phe63, A: Ala64, A: His65, A: Ser199, A: Gly205, A: Cys206, A: Asp285, A: Cac351, A: Hoh427, conact list: Atom Atom Distance (A) As CB A:Phe63 3.82 As CD2 A:Phe63 4.10 As C A:Phe63 4.92 As CG A:Phe63 4.27 As CA A:Phe63 4.91 As O A:Ala64 4.78 As N A:Ala64 4.72 As C A:Ala64 4.95 As NE2 A:His65 4.85 As ND1 A:His65 4.90 As CE1 A:His65 4.65 As CB A:Ser199 3.97 As OG A:Ser199 4.30 As C A:Gly205 4.71 As O A:Cys206 4.97 As N A:Cys206 3.96 As CB A:Cys206 3.08 As SG A:Cys206 2.26 As C A:Cys206 4.68 As CA A:Cys206 3.37 As CB A:Asp285 4.68 As OD1 A:Asp285 4.85 As CG A:Asp285 4.74 As O1 A:Cac351 1.81 As AS A:Cac351 0.00 As C2 A:Cac351 1.90 As C1 A:Cac351 1.99 As O A:Hoh427 4.92 interactive model: