Arsenic in the structure of Structure of Aurora-2 in Complex With Pha-680626 (pdb 2j4z)

The binding sites of Arsenic atom in the structure of Structure of Aurora-2 in Complex With Pha-680626 (pdb code 2j4z). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2j4z structure was solved by A.D.CAMERON, G.IZZO, P.STORICI, L.RUSCONI, D.FANCELLI, M.VARASI, D.BERTA, S.BINDI, B.FORTE, D.SEVERINO, R.TONANI, P.VIANELLO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.6-2.0 Space group P212121 a (A) 71.127 b (A) 89.445 c (A) 94.037 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Arsenic Binding Sites: Arsenic binding site 1 out of 3 in 2j4z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2j4z. 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: Ile193, A: Ala243, A: Leu244, A: Cys247, A: Val252, A: Arg255, A: Asp274, conact list: Atom Atom Distance (A) As CD1 A:Ile193 4.63 As O A:Ala243 4.78 As CD2 A:Leu244 4.57 As CB A:Cys247 3.26 As SG A:Cys247 2.52 As CA A:Cys247 4.72 As CB A:Val252 4.99 As CG1 A:Val252 4.36 As CB A:Arg255 4.72 As CD A:Arg255 3.75 As CZ A:Arg255 4.17 As CG A:Arg255 3.70 As NE A:Arg255 3.50 As NH2 A:Arg255 4.57 As NH1 A:Arg255 4.92 As OD1 A:Asp274 4.82 interactive model: Arsenic binding site 2 out of 3 in 2j4z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2j4z. 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: Leu289, A: Cys290, A: Met300, A: His306, conact list: Atom Atom Distance (A) As O A:Leu289 4.67 As N A:Cys290 4.84 As CB A:Cys290 4.13 As SG A:Cys290 3.39 As CA A:Cys290 4.20 As CE A:Met300 4.28 As CE1 A:His306 4.80 interactive model: Arsenic binding site 3 out of 3 in 2j4z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 2j4z. 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: Ile193, B: Ala243, B: Leu244, B: Cys247, B: Val252, B: Arg255, B: Ile272, B: Hoh2026, conact list: Atom Atom Distance (A) As CD1 B:Ile193 4.62 As O B:Ala243 4.66 As CD2 B:Leu244 4.60 As CB B:Cys247 3.14 As SG B:Cys247 2.41 As CA B:Cys247 4.61 As O B:Val252 4.67 As CG1 B:Val252 4.18 As CB B:Arg255 4.88 As CD B:Arg255 3.62 As CZ B:Arg255 4.21 As CG B:Arg255 3.74 As NE B:Arg255 3.55 As NH2 B:Arg255 4.75 As NH1 B:Arg255 4.82 As CD1 B:Ile272 4.67 As O B:Hoh2026 2.65 interactive model: