Arsenic in the structure of Crystal Structure of SOCS3 in Complex With GP130(PTYR757) Phosphopeptide. (pdb 2hmh)

The binding sites of Arsenic atom in the structure of Crystal Structure of SOCS3 in Complex With GP130(PTYR757) Phosphopeptide. (pdb code 2hmh). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2hmh structure was solved by E.BERGAMIN, J.WU, S.R.HUBBARD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 47.4-2.0 Space group C2221 a (A) 42.918 b (A) 94.708 c (A) 69.922 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 24.2 Rfree (%) 29.1 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 2hmh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2hmh. 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: Ala37, A: Val38, A: Phe80, A: Cas97, A: Phe102, conact list: Atom Atom Distance (A) As C A:Ala37 4.91 As CB A:Ala37 4.29 As N A:Val38 4.65 As CG2 A:Val38 4.28 As CD1 A:Phe80 4.35 As CE1 A:Phe80 4.16 As O A:Cas97 4.82 As CB A:Cas97 3.30 As SG A:Cas97 2.25 As AS A:Cas97 0.00 As CA A:Cas97 4.20 As CE2 A:Phe102 3.16 As CD2 A:Phe102 3.75 As CZ A:Phe102 3.78 As CE1 A:Phe102 4.76 As CG A:Phe102 4.74 interactive model: Arsenic binding site 2 out of 2 in 2hmh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2hmh. 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: Cas119, A: Leu121, conact list: Atom Atom Distance (A) As CB A:Cas119 2.91 As CE2 A:Cas119 1.99 As SG A:Cas119 2.25 As AS A:Cas119 0.00 As CE1 A:Cas119 1.99 As CA A:Cas119 4.42 As CB A:Leu121 4.99 interactive model: