Arsenic in the structure of Crystal Structure of the Small Gtpase Gem (Gemdndcam) in Complex to Mg.Gdp (pdb 2cjw)

The binding sites of Arsenic atom in the structure of Crystal Structure of the Small Gtpase Gem (Gemdndcam) in Complex to Mg.Gdp (pdb code 2cjw). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2cjw structure was solved by A.SPLINGARD, J.MENETREY, M.PERDERISET, J.CICOLARI, F.HAMOUDI, L.CABANIE, A.EL MARJOU, A.WELLS, A.HOUDUSSE, J.DE GUNZBURG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 60.0-2.1 Space group P61 a (A) 116.617 b (A) 116.617 c (A) 81.409 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 20.9 Rfree (%) 24.1 Arsenic Binding Sites: Arsenic binding site 1 out of 7 in 2cjw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2cjw. 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: Cas106, A: Glu115, A: Ile128, conact list: Atom Atom Distance (A) As N A:Cas106 3.86 As CB A:Cas106 3.11 As SG A:Cas106 2.22 As AS A:Cas106 0.00 As CA A:Cas106 3.67 As OE1 A:Glu115 4.23 As OE2 A:Glu115 2.89 As CD A:Glu115 3.89 As CD1 A:Ile128 4.85 interactive model: Arsenic binding site 2 out of 7 in 2cjw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2cjw. 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: Leu195, A: Arg197, A: Cas198, conact list: Atom Atom Distance (A) As O A:Leu195 4.75 As CB A:Leu195 4.27 As CD2 A:Leu195 4.47 As C A:Leu195 4.94 As CG A:Leu195 4.82 As CA A:Leu195 4.78 As CB A:Arg197 4.81 As C A:Arg197 4.69 As N A:Cas198 3.94 As CB A:Cas198 3.01 As CE2 A:Cas198 1.98 As SG A:Cas198 2.22 As AS A:Cas198 0.00 As CE1 A:Cas198 1.99 As CA A:Cas198 4.08 interactive model: Arsenic binding site 3 out of 7 in 2cjw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 2cjw. 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: Phe165, A: Ala168, A: Ser169, A: Leu188, A: Cas209, A: Hoh2046, conact list: Atom Atom Distance (A) As O A:Phe165 4.41 As CE2 A:Phe165 3.58 As CD2 A:Phe165 4.16 As CZ A:Phe165 3.87 As CE1 A:Phe165 4.66 As CG A:Phe165 4.90 As CB A:Ala168 4.78 As N A:Ser169 4.92 As CD1 A:Leu188 4.13 As CD2 A:Leu188 3.80 As CG A:Leu188 4.61 As CB A:Cas209 3.16 As CE2 A:Cas209 1.99 As SG A:Cas209 2.23 As AS A:Cas209 0.00 As CE1 A:Cas209 1.99 As CA A:Cas209 4.59 As O A:Hoh2046 4.48 interactive model: Arsenic binding site 4 out of 7 in 2cjw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Arsenic in the PDB 2cjw. 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: Arg172, A: Arg176, A: Ile186, A: Cas209, A: Ala210, A: Phe213, A: Asp214, A: Cas215, conact list: Atom Atom Distance (A) As CD A:Arg172 4.34 As CG A:Arg172 4.89 As CZ A:Arg176 4.86 As NH2 A:Arg176 4.36 As NH1 A:Arg176 4.73 As CG2 A:Ile186 4.76 As O A:Cas209 4.53 As O A:Ala210 4.55 As C A:Ala210 4.96 As CA A:Ala210 4.38 As O A:Phe213 3.55 As CB A:Phe213 3.99 As C A:Phe213 3.88 As CA A:Phe213 4.47 As O A:Asp214 4.36 As N A:Asp214 4.41 As C A:Asp214 4.08 As CA A:Asp214 4.86 As N A:Cas215 3.66 As CB A:Cas215 3.00 As SG A:Cas215 2.24 As AS A:Cas215 0.00 As C A:Cas215 4.74 As CA A:Cas215 3.88 interactive model: Arsenic binding site 5 out of 7 in 2cjw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Arsenic in the PDB 2cjw. 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: Met132, B: Cas146, B: Val149, conact list: Atom Atom Distance (A) As O B:Met132 4.73 As CB B:Met132 4.93 As CE B:Met132 4.61 As C B:Met132 4.95 As CG B:Met132 3.84 As SD B:Met132 4.53 As O B:Cas146 4.99 As N B:Cas146 4.31 As CB B:Cas146 3.04 As CE2 B:Cas146 1.99 As SG B:Cas146 2.23 As AS B:Cas146 0.00 As C B:Cas146 4.78 As CE1 B:Cas146 1.99 As CA B:Cas146 3.56 As CG2 B:Val149 4.74 interactive model: Arsenic binding site 6 out of 7 in 2cjw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Arsenic in the PDB 2cjw. 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: Arg197, B: Cas198, conact list: Atom Atom Distance (A) As O B:Arg197 4.33 As C B:Arg197 4.71 As O B:Cas198 4.46 As N B:Cas198 4.40 As CB B:Cas198 3.09 As SG B:Cas198 2.23 As AS B:Cas198 0.00 As C B:Cas198 4.48 As CA B:Cas198 3.45 interactive model: Arsenic binding site 7 out of 7 in 2cjw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Arsenic in the PDB 2cjw. 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: Phe165, B: Ser169, B: Cas209, B: Phe213, conact list: Atom Atom Distance (A) As CZ B:Phe165 4.70 As CE1 B:Phe165 4.60 As OG B:Ser169 4.68 As N B:Cas209 4.92 As CB B:Cas209 3.14 As SG B:Cas209 2.24 As AS B:Cas209 0.00 As C B:Cas209 4.99 As CA B:Cas209 3.95 As CE2 B:Phe213 4.22 As CZ B:Phe213 3.52 As CE1 B:Phe213 4.12 interactive model: