Arsenic in the structure of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed With 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine) (pdb 3n69)

The binding sites of Arsenic atom in the structure of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed With 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine) (pdb code 3n69). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3n69 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) 39.3-2.6 Space group P212121 a (A) 58.151 b (A) 106.633 c (A) 156.963 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.7 Rfree (%) 21.5 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 3n69 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3n69. 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 4.36 As CD2 A:Trp324 4.25 As CE3 A:Trp324 4.16 As CG A:Trp324 4.35 As CZ3 A:Trp324 4.87 As CD1 A:Leu328 4.74 As O A:Cys384 4.81 As N A:Cys384 4.72 As CB A:Cys384 3.16 As SG A:Cys384 2.44 As C A:Cys384 4.76 As CA A:Cys384 3.74 As AS A:Cad950 0.00 As C2 A:Cad950 1.99 As C1 A:Cad950 2.00 interactive model: Arsenic binding site 2 out of 2 in 3n69 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3n69. 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, B: Hoh1414, conact list: Atom Atom Distance (A) As CB B:Trp324 4.90 As CD2 B:Trp324 4.82 As CE3 B:Trp324 4.62 As CG B:Trp324 4.94 As O B:Cys384 4.88 As N B:Cys384 4.63 As CB B:Cys384 3.21 As SG B:Cys384 2.35 As C B:Cys384 4.83 As CA B:Cys384 3.72 As AS B:Cad950 0.00 As C2 B:Cad950 2.00 As C1 B:Cad950 1.99 As O B:Hoh1414 4.36 interactive model: