Arsenic in the structure of Crystal Structure of the Prolidase From Pyrococcus Horikoshii OT3 (pdb 1wy2)

The binding sites of Arsenic atom in the structure of Crystal Structure of the Prolidase From Pyrococcus Horikoshii OT3 (pdb code 1wy2). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1wy2 structure was solved by H.MIZUTANI, N.KUNISHIMA, RIKEN STRUCTURAL GENOMICS/PROTEOMICSINITIATIVE (RSGI), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.7 Space group P212121 a (A) 66.697 b (A) 105.876 c (A) 106.291 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.7 Rfree (%) 21 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 1wy2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1wy2. 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: Phe181, A: His195, A: Asp212, A: Asp223, A: His287, A: His294, A: Glu316, A: Glu330, A: Cac403, A: Zn405, A: Zn406, A: Hoh1512, A: Hoh1743, conact list: Atom Atom Distance (A) As CE2 A:Phe181 4.79 As CZ A:Phe181 4.60 As CE1 A:Phe181 4.75 As NE2 A:His195 4.66 As OD2 A:Asp212 4.00 As OD1 A:Asp212 4.43 As CG A:Asp212 4.57 As OD2 A:Asp223 3.72 As OD1 A:Asp223 4.26 As CG A:Asp223 4.40 As NE2 A:His287 4.22 As CD2 A:His287 4.96 As NE2 A:His294 3.77 As CD2 A:His294 4.89 As CE1 A:His294 4.21 As OE1 A:Glu316 4.51 As OE2 A:Glu316 4.72 As OE1 A:Glu330 4.87 As OE2 A:Glu330 4.85 As O1 A:Cac403 1.65 As O2 A:Cac403 1.63 As AS A:Cac403 0.00 As C2 A:Cac403 1.87 As C1 A:Cac403 1.87 As ZN A:Zn405 3.30 As ZN A:Zn406 3.24 As O A:Hoh1512 3.68 As O A:Hoh1743 4.25 interactive model: Arsenic binding site 2 out of 2 in 1wy2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1wy2. 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: B: Phe181, B: Asp212, B: Asp223, B: His287, B: His294, B: Glu316, B: Glu330, B: Cac404, B: Zn407, B: Zn408, B: Hoh538, B: Hoh548, B: Hoh627, conact list: Atom Atom Distance (A) As CE2 B:Phe181 4.88 As CZ B:Phe181 4.66 As CE1 B:Phe181 4.82 As OD2 B:Asp212 3.90 As OD1 B:Asp212 4.47 As CG B:Asp212 4.54 As OD2 B:Asp223 3.81 As OD1 B:Asp223 4.31 As CG B:Asp223 4.49 As NE2 B:His287 4.28 As CD2 B:His287 4.98 As NE2 B:His294 3.70 As CD2 B:His294 4.78 As CE1 B:His294 4.37 As OE1 B:Glu316 4.38 As OE2 B:Glu316 4.57 As CD B:Glu316 4.92 As OE1 B:Glu330 4.85 As OE2 B:Glu330 4.80 As O1 B:Cac404 1.65 As O2 B:Cac404 1.64 As AS B:Cac404 0.00 As C2 B:Cac404 1.87 As C1 B:Cac404 1.87 As ZN B:Zn407 3.30 As ZN B:Zn408 3.27 As O B:Hoh538 3.70 As O B:Hoh548 4.26 As O B:Hoh627 4.87 interactive model: