Arsenic in the structure of Bovine Endothelial Nitric Oxide Synthase Substrate Complex (pdb 2nse)

The binding sites of Arsenic atom in the structure of Bovine Endothelial Nitric Oxide Synthase Substrate Complex (pdb code 2nse). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2nse structure was solved by C.S.RAMAN, H.LI, P.MARTASEK, V.KRAL, B.S.S.MASTERS, T.L.POULOS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.3 Space group P212121 a (A) 58.060 b (A) 106.380 c (A) 156.380 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.6 Rfree (%) 30.5 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 2nse Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2nse. 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: Trp324, A: Cys384, conact list: Atom Atom Distance (A) As CB A:Trp324 4.85 As CD2 A:Trp324 4.50 As CE3 A:Trp324 4.32 As CG A:Trp324 4.73 As CZ3 A:Trp324 4.88 As O A:Cys384 4.88 As N A:Cys384 4.71 As CB A:Cys384 3.07 As SG A:Cys384 2.29 As C A:Cys384 4.82 As CA A:Cys384 3.77 interactive model: Arsenic binding site 2 out of 2 in 2nse Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2nse. 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: Trp324, B: Cys384, conact list: Atom Atom Distance (A) As CB B:Trp324 4.93 As CD2 B:Trp324 4.81 As CE3 B:Trp324 4.52 As CG B:Trp324 4.99 As O B:Cys384 4.89 As N B:Cys384 4.79 As CB B:Cys384 3.30 As SG B:Cys384 2.32 As C B:Cys384 4.84 As CA B:Cys384 3.80 interactive model: