Arsenic in the structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, L-Arg Complex (pdb 4nse)

The binding sites of Arsenic atom in the structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, L-Arg Complex (pdb code 4nse). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 4nse 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) 30.0-1.9 Space group P212121 a (A) 57.660 b (A) 106.100 c (A) 155.750 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.2 Rfree (%) 26 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 4nse Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 4nse. 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: Leu328, A: Cys384, A: Cac950, A: Hoh984, conact list: Atom Atom Distance (A) As CD2 A:Trp324 4.85 As CE3 A:Trp324 4.54 As CD1 A:Leu328 4.72 As N A:Cys384 4.73 As CB A:Cys384 3.28 As SG A:Cys384 2.33 As C A:Cys384 5.00 As CA A:Cys384 3.89 As AS A:Cac950 0.00 As C2 A:Cac950 1.83 As C1 A:Cac950 1.84 As O A:Hoh984 4.63 interactive model: Arsenic binding site 2 out of 2 in 4nse Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 4nse. 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, B: Cac950, conact list: Atom Atom Distance (A) As CB B:Trp324 4.67 As CD2 B:Trp324 4.51 As CE3 B:Trp324 4.26 As CG B:Trp324 4.69 As CZ3 B:Trp324 4.90 As O B:Cys384 4.74 As N B:Cys384 4.54 As CB B:Cys384 3.06 As SG B:Cys384 2.26 As C B:Cys384 4.66 As CA B:Cys384 3.60 As AS B:Cac950 0.00 As C2 B:Cac950 1.83 As C1 B:Cac950 1.83 interactive model: