Arsenic in the structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D/V106M Double Mutant Complexed With 4-(3-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Phenethyl)-6-Methylpyridin-2-Amine (pdb 3n68)

The binding sites of Arsenic atom in the structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D/V106M Double Mutant Complexed With 4-(3-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Phenethyl)-6-Methylpyridin-2-Amine (pdb code 3n68). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3n68 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) 39.3-2.5 Space group P212121 a (A) 57.810 b (A) 106.578 c (A) 157.078 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19 Rfree (%) 25.4 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 3n68 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3n68. 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, A: Hoh1043, conact list: Atom Atom Distance (A) As CB A:Trp324 4.85 As CD2 A:Trp324 4.58 As CE3 A:Trp324 4.39 As CG A:Trp324 4.80 As CZ3 A:Trp324 4.97 As CD1 A:Leu328 4.90 As O A:Cys384 4.95 As N A:Cys384 4.74 As CB A:Cys384 3.22 As SG A:Cys384 2.52 As C A:Cys384 4.87 As CA A:Cys384 3.80 As AS A:Cad950 0.00 As C2 A:Cad950 2.00 As C1 A:Cad950 1.99 As O A:Hoh1043 4.49 interactive model: Arsenic binding site 2 out of 2 in 3n68 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3n68. 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 CD2 B:Trp324 4.94 As CE3 B:Trp324 4.61 As N B:Cys384 4.69 As CB B:Cys384 3.45 As SG B:Cys384 1.90 As CA B:Cys384 3.88 As AS B:Cad950 0.00 As C2 B:Cad950 2.01 As C1 B:Cad950 1.99 interactive model: