Arsenic in the structure of Arsenate Reductase R60A Mutant +0.4M Arsenite From E. Coli (pdb 1sk0)

The binding sites of Arsenic atom in the structure of Arsenate Reductase R60A Mutant +0.4M Arsenite From E. Coli (pdb code 1sk0). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1sk0 structure was solved by S.DEMEL, B.F.EDWARDS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.8 Space group P6122 a (A) 86.560 b (A) 86.560 c (A) 115.990 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) n/a Rfree (%) 23.8 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 1sk0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1sk0. 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: Cz212, A: Gly13, A: Thr14, A: Arg94, A: Arg107, A: Tas201, A: Hoh1229, conact list: Atom Atom Distance (A) As O A:Cz212 4.94 As O2 A:Cz212 1.82 As CB A:Cz212 3.12 As CB A:Cz212 3.08 As SG A:Cz212 2.31 As SG A:Cz212 2.21 As O1 A:Cz212 1.81 As AS A:Cz212 0.00 As C A:Cz212 4.10 As CA A:Cz212 3.67 As N A:Gly13 4.15 As N A:Thr14 4.48 As CB A:Thr14 4.70 As OG1 A:Thr14 4.39 As CZ A:Arg94 3.57 As NE A:Arg94 3.99 As NH2 A:Arg94 3.14 As NH1 A:Arg94 4.21 As CZ A:Arg107 4.91 As NH2 A:Arg107 4.66 As NH1 A:Arg107 4.16 As O1 A:Tas201 4.99 As O2 A:Tas201 3.28 As AS A:Tas201 3.42 As O3 A:Tas201 4.07 As O A:Hoh1229 4.18 interactive model: Arsenic binding site 2 out of 2 in 1sk0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1sk0. 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: Cz212, A: Gly13, A: Thr14, A: Tas201, A: Hoh1028, A: Hoh1096, conact list: Atom Atom Distance (A) As O2 A:Cz212 4.93 As SG A:Cz212 4.94 As SG A:Cz212 4.85 As O1 A:Cz212 3.50 As AS A:Cz212 3.42 As C A:Cz212 4.53 As CA A:Cz212 4.71 As N A:Gly13 3.61 As C A:Gly13 4.92 As CA A:Gly13 4.18 As N A:Thr14 4.58 As OG1 A:Thr14 4.99 As O1 A:Tas201 1.83 As O2 A:Tas201 1.83 As AS A:Tas201 0.00 As O3 A:Tas201 1.83 As O A:Hoh1028 3.97 As O A:Hoh1096 4.47 interactive model: