Arsenic in the structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed With 7- Nitroindazole-2-Carboxamidine (H4B Present) (pdb 1foj)

The binding sites of Arsenic atom in the structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed With 7- Nitroindazole-2-Carboxamidine (H4B Present) (pdb code 1foj). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1foj structure was solved by C.S.RAMAN, H.LI, P.MARTASEK, B.S.MASTERS, T.L.POULOS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.9-2.1 Space group P212121 a (A) 58.380 b (A) 106.490 c (A) 155.700 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.7 Rfree (%) 25.9 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 1foj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1foj. 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: Cac1950, conact list: Atom Atom Distance (A) As CB A:Trp324 4.54 As CD2 A:Trp324 4.20 As CE3 A:Trp324 3.97 As CG A:Trp324 4.46 As CZ3 A:Trp324 4.57 As CE2 A:Trp324 4.98 As CD2 A:Leu328 4.78 As O A:Cys384 4.67 As N A:Cys384 4.63 As CB A:Cys384 2.86 As SG A:Cys384 2.34 As C A:Cys384 4.62 As CA A:Cys384 3.62 As AS A:Cac1950 0.00 As C2 A:Cac1950 1.83 As C1 A:Cac1950 1.84 interactive model: Arsenic binding site 2 out of 2 in 1foj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1foj. 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: Leu328, B: Cys384, B: Cac2950, conact list: Atom Atom Distance (A) As CB B:Trp324 4.64 As CD2 B:Trp324 4.43 As CE3 B:Trp324 4.11 As CG B:Trp324 4.67 As CZ3 B:Trp324 4.73 As CD2 B:Leu328 4.82 As O B:Cys384 4.60 As N B:Cys384 4.54 As CB B:Cys384 2.95 As SG B:Cys384 2.24 As C B:Cys384 4.58 As CA B:Cys384 3.54 As AS B:Cac2950 0.00 As C2 B:Cac2950 1.83 As C1 B:Cac2950 1.85 interactive model: