Arsenic in the structure of Crystal Structure of Biotin Carboxylase-Beta-Gamma-Atp Complex From Campylobacter Jejuni (pdb 3ouu)

The binding sites of Arsenic atom in the structure of Crystal Structure of Biotin Carboxylase-Beta-Gamma-Atp Complex From Campylobacter Jejuni (pdb code 3ouu). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3ouu structure was solved by N.MALTSEVA, Y.KIM, M.MAKOWSKA-GRZYSKA, R.MULLIGAN, L.PAPAZISI, W.F.ANDERSON, A.JOACHIMIAK, CENTER FOR STRUCTURAL GENOMICS OFINFECTIOUS DISEASES (CSGID), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 44.9-2.2 Space group P212121 a (A) 89.830 b (A) 100.170 c (A) 148.701 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17 Rfree (%) 22.1 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 3ouu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3ouu. 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: Ser115, A: Lys117, A: Ala161, A: Ala162, A: Gly163, A: Cac461, A: Hoh479, A: Hoh532, A: Hoh533, A: Hoh561, A: Hoh588, A: Hoh730, A: Hoh732, conact list: Atom Atom Distance (A) As O A:Ser115 2.94 As CB A:Ser115 4.84 As C A:Ser115 3.93 As CA A:Ser115 4.29 As CD A:Lys117 4.89 As CG A:Lys117 4.65 As O A:Ala161 4.44 As O A:Ala162 4.57 As C A:Ala162 4.55 As CA A:Ala162 4.65 As O A:Gly163 3.99 As O1 A:Cac461 1.74 As O2 A:Cac461 1.74 As AS A:Cac461 0.00 As C2 A:Cac461 1.96 As C1 A:Cac461 1.98 As O A:Hoh479 4.89 As O A:Hoh532 4.42 As O A:Hoh533 4.36 As O A:Hoh561 3.58 As O A:Hoh588 3.44 As O A:Hoh730 3.48 As O A:Hoh732 3.29 interactive model: Arsenic binding site 2 out of 2 in 3ouu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3ouu. 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: Ser115, B: Lys117, B: Ala161, B: Ala162, B: Gly163, B: Cac458, B: Hoh560, B: Hoh612, B: Hoh684, B: Hoh718, conact list: Atom Atom Distance (A) As O B:Ser115 2.89 As C B:Ser115 3.95 As CA B:Ser115 4.46 As CD B:Lys117 4.97 As CG B:Lys117 4.91 As O B:Ala161 4.37 As O B:Ala162 4.15 As C B:Ala162 4.32 As CA B:Ala162 4.50 As O B:Gly163 4.07 As N B:Gly163 4.94 As C B:Gly163 5.00 As O1 B:Cac458 1.74 As O2 B:Cac458 1.73 As AS B:Cac458 0.00 As C2 B:Cac458 1.97 As C1 B:Cac458 1.96 As O B:Hoh560 3.92 As O B:Hoh612 3.91 As O B:Hoh684 3.38 As O B:Hoh718 4.67 interactive model: