Arsenic in the structure of Human Phosphoribosyl Transferase Domain Containing 1 (pdb 2jbh)

The binding sites of Arsenic atom in the structure of Human Phosphoribosyl Transferase Domain Containing 1 (pdb code 2jbh). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2jbh structure was solved by M.WELIN, P.STENMARK, C.ARROWSMITH, H.BERGLUND, R.BUSAM, R.COLLINS, A.EDWARDS, H.EKLUND, U.B.ERICSSON, S.FLODIN, A.FLORES, S.GRASLUND, M.HAMMARSTROM, B.M.HALLBERG, L.HOLMBERG SCHIAVONE, M.HOGBOM, I.JOHANSSON, T.KARLBERG, T.KOTENYOVA, M.MOCHE, M.E.NILSSON, T.NYMAN, D.OGG, C.PERSSON, J.SAGEMARK, M.SUNDSTROM, J.UPPENBERG, A.G.THORSELL, S.VAN DEN BERG, J.WEIGELT, P.NORDLUND, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 39.4-1.7 Space group P321 a (A) 139.232 b (A) 139.232 c (A) 52.132 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.2 Rfree (%) 21.5 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 2jbh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2jbh. 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: Cys73, A: Tyr79, A: Cas82, A: Ala83, A: Val86, A: Phe106, A: Hoh2073, conact list: Atom Atom Distance (A) As CB A:Cys73 4.88 As SG A:Cys73 4.94 As O A:Tyr79 4.51 As O A:Cas82 3.62 As N A:Cas82 4.97 As CB A:Cas82 3.20 As CE2 A:Cas82 1.97 As SG A:Cas82 2.27 As AS A:Cas82 0.00 As C A:Cas82 3.25 As CE1 A:Cas82 1.98 As CA A:Cas82 3.82 As N A:Ala83 3.35 As C A:Ala83 4.84 As CB A:Ala83 4.54 As CA A:Ala83 3.68 As CB A:Val86 4.46 As CG2 A:Val86 3.94 As CE2 A:Phe106 4.67 As O A:Hoh2073 4.81 interactive model: Arsenic binding site 2 out of 2 in 2jbh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2jbh. 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: Cys73, B: Tyr79, B: Cas82, B: Ala83, B: Val86, B: Phe106, conact list: Atom Atom Distance (A) As CB B:Cys73 4.74 As SG B:Cys73 4.91 As O B:Tyr79 4.55 As O B:Cas82 3.56 As N B:Cas82 4.94 As CB B:Cas82 3.19 As CE2 B:Cas82 1.97 As SG B:Cas82 2.26 As AS B:Cas82 0.00 As C B:Cas82 3.28 As CE1 B:Cas82 1.98 As CA B:Cas82 3.80 As N B:Ala83 3.37 As C B:Ala83 4.84 As CB B:Ala83 4.56 As CA B:Ala83 3.69 As CB B:Val86 4.46 As CG2 B:Val86 3.97 As CE2 B:Phe106 4.69 As CZ B:Phe106 4.99 interactive model: