Arsenic in the structure of Acinetobacter Baumanii Nicotinamidase Pyrazinamidease (pdb 2wta)

The binding sites of Arsenic atom in the structure of Acinetobacter Baumanii Nicotinamidase Pyrazinamidease (pdb code 2wta). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2wta structure was solved by P.K.FYFE, V.A.RAO, A.ZEMLA, S.CAMERON, W.N.HUNTER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 42.5-1.7 Space group I121 a (A) 50.688 b (A) 46.507 c (A) 107.602 alpha (°) 90.00 beta (°) 101.97 gamma (°) 90.00 Rfactor (%) 14.748 Rfree (%) 17.661 Arsenic Binding Sites: Arsenic binding site 1 out of 1 in 2wta Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2wta. 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: Asp16, A: Phe21, A: Tyr123, A: Ile154, A: Ala155, A: Phe158, A: Caf159, A: Vgl1216, conact list: Atom Atom Distance (A) As OD1 A:Asp16 4.15 As CZ A:Phe21 4.71 As CE1 A:Phe21 4.79 As CD1 A:Tyr123 4.80 As O A:Ile154 3.82 As C A:Ile154 4.07 As O A:Ala155 4.79 As N A:Ala155 3.47 As CB A:Ala155 4.32 As CA A:Ala155 4.47 As CB A:Phe158 3.96 As C A:Phe158 4.40 As CA A:Phe158 4.72 As N A:Caf159 3.31 As N A:Caf159 3.30 As CB A:Caf159 3.00 As CB A:Caf159 3.09 As CE2 A:Caf159 1.96 As SG A:Caf159 2.37 As SG A:Caf159 2.18 As O1 A:Caf159 1.73 As AS A:Caf159 0.00 As C A:Caf159 4.98 As C A:Caf159 4.98 As CE1 A:Caf159 1.95 As CA A:Caf159 3.74 As CA A:Caf159 3.72 As C6 A:Vgl1216 2.91 As O2 A:Vgl1216 0.85 As N2 A:Vgl1216 2.61 As C4 A:Vgl1216 4.48 As C1 A:Vgl1216 1.82 As O1 A:Vgl1216 1.55 As C3 A:Vgl1216 3.86 As N5 A:Vgl1216 4.12 As C2 A:Vgl1216 0.46 interactive model: