Arsenic in the structure of D275P Mutant of Alcohol Dehydrogenase From Protozoa Entamoeba Histolytica (pdb 2oui)

The binding sites of Arsenic atom in the structure of D275P Mutant of Alcohol Dehydrogenase From Protozoa Entamoeba Histolytica (pdb code 2oui). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2oui structure was solved by F.FROLOW, L.SHIMON, Y.BURSTEIN, E.GOIHBERG, M.PERETZ, O.DYM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-1.8 Space group C121 a (A) 145.921 b (A) 144.104 c (A) 80.073 alpha (°) 90.00 beta (°) 121.44 gamma (°) 90.00 Rfactor (%) 14.8 Rfree (%) 17.8 Arsenic Binding Sites: Arsenic binding site 1 out of 4 in 2oui Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2oui. 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: Cys37, A: Ser39, A: His59, A: Trp110, A: Asp150, A: Thr154, A: Leu294, A: Zn361, A: Cac1001, A: Edo2001, A: Hoh5042, conact list: Atom Atom Distance (A) As SG A:Cys37 4.90 As CB A:Ser39 4.46 As OG A:Ser39 3.64 As NE2 A:His59 4.13 As CD2 A:His59 4.70 As CE1 A:His59 4.81 As CD2 A:Trp110 4.99 As CZ2 A:Trp110 4.72 As CE2 A:Trp110 4.77 As CH2 A:Trp110 4.89 As OD2 A:Asp150 3.74 As OD1 A:Asp150 3.49 As CG A:Asp150 3.98 As OG1 A:Thr154 4.76 As CD1 A:Leu294 4.81 As ZN A:Zn361 3.21 As O1 A:Cac1001 1.73 As O2 A:Cac1001 1.77 As AS A:Cac1001 0.00 As C2 A:Cac1001 1.96 As C1 A:Cac1001 1.95 As C2 A:Edo2001 4.64 As C1 A:Edo2001 4.06 As O A:Hoh5042 3.73 interactive model: Arsenic binding site 2 out of 4 in 2oui Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2oui. 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: Cys37, B: Ser39, B: His59, B: Trp110, B: Asp150, B: Thr154, B: Leu294, B: Zn361, B: Cac1001, B: Hoh5008, B: Hoh5067, conact list: Atom Atom Distance (A) As SG B:Cys37 4.91 As CB B:Ser39 4.59 As OG B:Ser39 3.82 As NE2 B:His59 4.15 As CD2 B:His59 4.73 As CE1 B:His59 4.82 As CD2 B:Trp110 4.99 As CZ2 B:Trp110 4.78 As CE2 B:Trp110 4.83 As CH2 B:Trp110 4.86 As OD2 B:Asp150 3.61 As OD1 B:Asp150 3.52 As CG B:Asp150 3.96 As OG1 B:Thr154 4.71 As CD1 B:Leu294 4.78 As ZN B:Zn361 3.19 As O1 B:Cac1001 1.74 As O2 B:Cac1001 1.77 As AS B:Cac1001 0.00 As C2 B:Cac1001 1.95 As C1 B:Cac1001 1.95 As O B:Hoh5008 4.48 As O B:Hoh5067 3.75 interactive model: Arsenic binding site 3 out of 4 in 2oui Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 2oui. 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: Cys37, C: Ser39, C: His59, C: Trp110, C: Asp150, C: Thr154, C: Leu294, C: Zn361, C: Cac1001, C: Hoh5015, C: Hoh5052, conact list: Atom Atom Distance (A) As SG C:Cys37 4.95 As CB C:Ser39 4.46 As OG C:Ser39 3.72 As NE2 C:His59 4.13 As CD2 C:His59 4.81 As CE1 C:His59 4.70 As CZ2 C:Trp110 4.77 As CE2 C:Trp110 4.80 As CH2 C:Trp110 4.96 As OD2 C:Asp150 3.80 As OD1 C:Asp150 3.56 As CG C:Asp150 4.07 As OG1 C:Thr154 4.73 As CD1 C:Leu294 4.77 As ZN C:Zn361 3.25 As O1 C:Cac1001 1.75 As O2 C:Cac1001 1.77 As AS C:Cac1001 0.00 As C2 C:Cac1001 1.92 As C1 C:Cac1001 1.92 As O C:Hoh5015 4.83 As O C:Hoh5052 3.68 interactive model: Arsenic binding site 4 out of 4 in 2oui Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Arsenic in the PDB 2oui. 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: D: Cys37, D: Ser39, D: His59, D: Trp110, D: Asp150, D: Thr154, D: Leu294, D: Zn361, D: Cac1001, D: Hoh7023, D: Hoh7053, conact list: Atom Atom Distance (A) As SG D:Cys37 4.93 As CB D:Ser39 4.44 As OG D:Ser39 3.75 As NE2 D:His59 4.15 As CD2 D:His59 4.76 As CE1 D:His59 4.78 As CD2 D:Trp110 4.98 As CZ2 D:Trp110 4.63 As CE2 D:Trp110 4.73 As CH2 D:Trp110 4.83 As OD2 D:Asp150 3.70 As OD1 D:Asp150 3.56 As CG D:Asp150 4.02 As OG1 D:Thr154 4.71 As CD1 D:Leu294 4.82 As ZN D:Zn361 3.26 As O1 D:Cac1001 1.75 As O2 D:Cac1001 1.73 As AS D:Cac1001 0.00 As C2 D:Cac1001 1.95 As C1 D:Cac1001 1.95 As O D:Hoh7023 3.73 As O D:Hoh7053 4.73 interactive model: