Arsenic in the structure of Crystal Structure of An Iron Containing Alcohol Dehydrogenase (pdb 1vhd)

The binding sites of Arsenic atom in the structure of Crystal Structure of An Iron Containing Alcohol Dehydrogenase (pdb code 1vhd). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1vhd structure was solved by STRUCTURAL GENOMIX, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 12.0-1.6 Space group P1211 a (A) 57.903 b (A) 85.067 c (A) 72.354 alpha (°) 90.00 beta (°) 96.57 gamma (°) 90.00 Rfactor (%) 19 Rfree (%) 20.8 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 1vhd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1vhd. 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: Val116, A: Leu119, A: Tyr120, A: Ser148, A: Leu150, A: Arg158, A: Gly159, A: Cys160, A: Cac370, conact list: Atom Atom Distance (A) As O A:Val116 4.83 As O A:Leu119 4.78 As CB A:Leu119 3.91 As CD1 A:Leu119 4.46 As C A:Leu119 4.63 As CG A:Leu119 4.86 As CA A:Leu119 4.93 As N A:Tyr120 4.79 As CE2 A:Tyr120 3.86 As CD1 A:Tyr120 4.10 As CD2 A:Tyr120 4.26 As CZ A:Tyr120 3.54 As CE1 A:Tyr120 3.68 As CG A:Tyr120 4.39 As OH A:Tyr120 3.87 As O A:Ser148 4.25 As CB A:Ser148 4.82 As OG A:Ser148 4.97 As CD1 A:Leu150 4.27 As CG A:Leu150 4.68 As O A:Arg158 4.95 As C A:Gly159 4.77 As N A:Cys160 4.17 As CB A:Cys160 3.03 As SG A:Cys160 2.19 As CA A:Cys160 4.21 As O1 A:Cac370 1.75 As AS A:Cac370 0.00 As C2 A:Cac370 1.81 As C1 A:Cac370 1.81 interactive model: Arsenic binding site 2 out of 2 in 1vhd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1vhd. 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: Val116, B: Leu119, B: Tyr120, B: Ser148, B: Leu150, B: Arg158, B: Gly159, B: Cys160, B: Cac370, conact list: Atom Atom Distance (A) As O B:Val116 4.86 As O B:Leu119 4.72 As CB B:Leu119 3.98 As CD1 B:Leu119 4.54 As C B:Leu119 4.66 As CG B:Leu119 4.94 As CA B:Leu119 4.99 As N B:Tyr120 4.89 As CE2 B:Tyr120 3.97 As CD1 B:Tyr120 4.00 As CD2 B:Tyr120 4.40 As CZ B:Tyr120 3.50 As CE1 B:Tyr120 3.52 As CG B:Tyr120 4.43 As OH B:Tyr120 3.80 As O B:Ser148 4.21 As CB B:Ser148 4.79 As OG B:Ser148 4.93 As C B:Ser148 4.96 As CD1 B:Leu150 4.35 As CG B:Leu150 4.73 As O B:Arg158 4.77 As C B:Gly159 4.78 As N B:Cys160 4.22 As CB B:Cys160 3.03 As SG B:Cys160 2.20 As CA B:Cys160 4.23 As O1 B:Cac370 1.75 As AS B:Cac370 0.00 As C2 B:Cac370 1.80 As C1 B:Cac370 1.81 interactive model: