Arsenic in the structure of Crystal Structure of Sugar Phosphate Isomerase From A Cupin Superfamily SPO2919 From Silicibacter Pomeroyi (YP_168127.1) From Silicibacter Pomeroyi Dss-3 At 2.30 A Resolution (pdb 3i7d)

The binding sites of Arsenic atom in the structure of Crystal Structure of Sugar Phosphate Isomerase From A Cupin Superfamily SPO2919 From Silicibacter Pomeroyi (YP_168127.1) From Silicibacter Pomeroyi Dss-3 At 2.30 A Resolution (pdb code 3i7d). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3i7d structure was solved by JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.8-2.3 Space group P41212 a (A) 52.815 b (A) 52.815 c (A) 252.163 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.6 Rfree (%) 24.5 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 3i7d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3i7d. 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: Tyr17, A: Ser56, A: His59, A: Tyr128, A: Cac164, A: Hoh181, A: Hoh182, A: Hoh184, conact list: Atom Atom Distance (A) As CZ A:Tyr17 4.41 As CE1 A:Tyr17 4.60 As OH A:Tyr17 3.64 As CB A:Ser56 4.80 As NE2 A:His59 4.36 As ND1 A:His59 4.72 As CD2 A:His59 4.60 As CE1 A:His59 4.44 As CG A:His59 4.82 As CZ A:Tyr128 4.54 As CE1 A:Tyr128 4.71 As OH A:Tyr128 3.52 As O1 A:Cac164 1.75 As O2 A:Cac164 1.74 As AS A:Cac164 0.00 As C2 A:Cac164 1.97 As C1 A:Cac164 1.97 As O A:Hoh181 4.04 As O A:Hoh182 4.69 As O A:Hoh184 3.63 interactive model: Arsenic binding site 2 out of 2 in 3i7d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3i7d. 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: Tyr17, B: His59, B: Tyr128, B: Cac163, B: Hoh188, B: Hoh238, B: Hoh239, conact list: Atom Atom Distance (A) As CZ B:Tyr17 4.35 As CE1 B:Tyr17 4.48 As OH B:Tyr17 3.65 As NE2 B:His59 4.50 As ND1 B:His59 4.87 As CD2 B:His59 4.80 As CE1 B:His59 4.57 As CG B:His59 5.00 As CZ B:Tyr128 4.39 As CE1 B:Tyr128 4.74 As OH B:Tyr128 3.25 As O1 B:Cac163 1.74 As O2 B:Cac163 1.76 As AS B:Cac163 0.00 As C2 B:Cac163 1.99 As C1 B:Cac163 1.98 As O B:Hoh188 3.48 As O B:Hoh238 4.95 As O B:Hoh239 4.23 interactive model: