Arsenic in the structure of Crystal Structure of Poliovirus Polymerase Complexed With Ctp and MN2+ (pdb 2im1)

The binding sites of Arsenic atom in the structure of Crystal Structure of Poliovirus Polymerase Complexed With Ctp and MN2+ (pdb code 2im1). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2im1 structure was solved by A.A.THOMPSON, O.B.PEERSEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 28.2-2.5 Space group P65 a (A) 128.942 b (A) 128.942 c (A) 112.979 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 23.9 Rfree (%) 26.8 Arsenic Binding Sites: Arsenic binding site 1 out of 4 in 2im1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2im1. 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: Cas96, A: Glu98, A: Asp99, conact list: Atom Atom Distance (A) As CB A:Cas96 3.15 As CE2 A:Cas96 2.23 As SG A:Cas96 2.28 As AS A:Cas96 0.00 As CE1 A:Cas96 2.25 As CA A:Cas96 4.61 As CB A:Glu98 4.99 As OD2 A:Asp99 4.03 As CG A:Asp99 4.64 interactive model: Arsenic binding site 2 out of 4 in 2im1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2im1. 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: Ala209, A: Gly211, A: Cas212, A: Asp213, A: Pro214, A: Tyr326, A: Leu374, A: Hoh519, conact list: Atom Atom Distance (A) As O A:Ala209 3.41 As C A:Ala209 4.36 As CB A:Ala209 4.66 As N A:Gly211 4.87 As C A:Gly211 4.98 As O A:Cas212 3.53 As N A:Cas212 3.87 As CB A:Cas212 3.28 As CE2 A:Cas212 2.22 As SG A:Cas212 2.26 As AS A:Cas212 0.00 As C A:Cas212 3.86 As CE1 A:Cas212 2.21 As CA A:Cas212 3.86 As N A:Asp213 4.80 As CD A:Pro214 4.45 As CG A:Pro214 4.43 As CE2 A:Tyr326 4.60 As CD2 A:Tyr326 4.65 As CD1 A:Leu374 3.73 As O A:Hoh519 4.97 interactive model: Arsenic binding site 3 out of 4 in 2im1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 2im1. 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: Trp5, A: Ser271, A: His272, A: Cas281, A: Val282, conact list: Atom Atom Distance (A) As CZ2 A:Trp5 4.45 As O A:Ser271 3.86 As C A:Ser271 4.07 As CA A:Ser271 4.93 As N A:His272 4.20 As CB A:His272 4.20 As CD2 A:His272 4.66 As CG A:His272 4.55 As CA A:His272 4.14 As N A:Cas281 5.00 As CB A:Cas281 3.12 As CE2 A:Cas281 2.22 As SG A:Cas281 2.24 As AS A:Cas281 0.00 As C A:Cas281 4.79 As CE1 A:Cas281 2.24 As CA A:Cas281 3.88 As N A:Val282 4.90 interactive model: Arsenic binding site 4 out of 4 in 2im1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Arsenic in the PDB 2im1. 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: Leu154, A: Ser179, A: Asp183, A: Met187, A: Tyr267, A: Leu268, A: Cas290, A: Ser291, conact list: Atom Atom Distance (A) As CD2 A:Leu154 4.61 As CB A:Ser179 4.10 As OG A:Ser179 4.69 As CB A:Asp183 4.80 As CE A:Met187 5.00 As SD A:Met187 3.72 As CD2 A:Tyr267 4.88 As CD2 A:Leu268 3.84 As CG A:Leu268 4.62 As CB A:Cas290 3.11 As CE2 A:Cas290 2.21 As SG A:Cas290 2.27 As AS A:Cas290 0.00 As CE1 A:Cas290 2.26 As CA A:Cas290 4.22 As N A:Ser291 4.97 interactive model: