Arsenic in the structure of Structure of Tr-Beta Bound to Selective Thyromimetic Gc-1 (pdb 3imy)

The binding sites of Arsenic atom in the structure of Structure of Tr-Beta Bound to Selective Thyromimetic Gc-1 (pdb code 3imy). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3imy structure was solved by L.BLEICHER, L.POLIKARPOV, R.APARICIO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 35.2-2.5 Space group P3121 a (A) 68.996 b (A) 68.996 c (A) 130.861 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 22.5 Rfree (%) 27.1 Arsenic Binding Sites: Arsenic binding site 1 out of 3 in 3imy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3imy. 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: Lys288, A: Cas294, A: Gln301, conact list: Atom Atom Distance (A) As O A:Lys288 4.52 As N A:Cas294 4.57 As CB A:Cas294 3.22 As CE2 A:Cas294 1.96 As SG A:Cas294 2.24 As AS A:Cas294 0.00 As C A:Cas294 4.92 As CE1 A:Cas294 1.97 As CA A:Cas294 3.77 As OE1 A:Gln301 4.55 interactive model: Arsenic binding site 2 out of 3 in 3imy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3imy. 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: Cas388, A: Arg391, A: Hoh14, conact list: Atom Atom Distance (A) As CB A:Cas388 3.01 As CE2 A:Cas388 1.96 As SG A:Cas388 2.22 As AS A:Cas388 0.00 As CE1 A:Cas388 1.96 As CA A:Cas388 4.44 As CB A:Arg391 4.34 As CD A:Arg391 3.87 As CZ A:Arg391 4.98 As CG A:Arg391 4.75 As NE A:Arg391 4.91 As NH1 A:Arg391 4.07 As O A:Hoh14 4.29 interactive model: Arsenic binding site 3 out of 3 in 3imy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 3imy. 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: Val348, A: Val349, A: Cas434, conact list: Atom Atom Distance (A) As CG1 A:Val348 3.74 As CG2 A:Val349 4.33 As O A:Cas434 4.11 As N A:Cas434 4.84 As CB A:Cas434 2.82 As CE2 A:Cas434 1.97 As SG A:Cas434 2.21 As AS A:Cas434 0.00 As C A:Cas434 4.18 As CE1 A:Cas434 2.00 As CA A:Cas434 3.71 interactive model: