Arsenic in the structure of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed With 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-Methylpyridin-2-Amine (pdb 3n6a)

The binding sites of Arsenic atom in the structure of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed With 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-Methylpyridin-2-Amine (pdb code 3n6a). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3n6a structure was solved by S.L.DELKER, H.LI, T.L.POULOS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 42.8-2.5 Space group P212121 a (A) 58.071 b (A) 106.614 c (A) 156.886 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.4 Rfree (%) 24.3 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 3n6a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3n6a. 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: Cad950, conact list: Atom Atom Distance (A) As CB A:Trp324 4.77 As CD2 A:Trp324 4.61 As CE3 A:Trp324 4.44 As CG A:Trp324 4.78 As CD1 A:Leu328 4.72 As N A:Cys384 4.73 As CB A:Cys384 3.27 As SG A:Cys384 2.47 As C A:Cys384 4.90 As CA A:Cys384 3.82 As AS A:Cad950 0.00 As C2 A:Cad950 1.99 As C1 A:Cad950 1.99 interactive model: Arsenic binding site 2 out of 2 in 3n6a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3n6a. 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: Cad950, conact list: Atom Atom Distance (A) As CB B:Trp324 4.74 As CD2 B:Trp324 4.62 As CE3 B:Trp324 4.40 As CG B:Trp324 4.79 As O B:Cys384 4.81 As N B:Cys384 4.59 As CB B:Cys384 3.20 As SG B:Cys384 2.42 As C B:Cys384 4.76 As CA B:Cys384 3.67 As AS B:Cad950 0.00 As C2 B:Cad950 2.00 As C1 B:Cad950 1.99 interactive model: