Arsenic in the structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed With 6,6'-(2,2'-(Pyridine-3,5-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine) (pdb 3n5t)

The binding sites of Arsenic atom in the structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed With 6,6'-(2,2'-(Pyridine-3,5-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine) (pdb code 3n5t). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3n5t 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) 58.120 b (A) 106.744 c (A) 157.382 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.6 Rfree (%) 24.8 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 3n5t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3n5t. 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 4.70 As CD2 A:Trp324 4.59 As CE3 A:Trp324 4.41 As CG A:Trp324 4.72 As CD1 A:Leu328 4.78 As N A:Cys384 4.69 As CB A:Cys384 3.26 As SG A:Cys384 2.43 As C A:Cys384 4.95 As CA A:Cys384 3.84 As AS A:Cad950 0.00 As C2 A:Cad950 2.00 As C1 A:Cad950 2.00 interactive model: Arsenic binding site 2 out of 2 in 3n5t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3n5t. 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 4.99 As CD2 B:Trp324 4.83 As CE3 B:Trp324 4.62 As O B:Cys384 4.99 As N B:Cys384 4.53 As CB B:Cys384 3.16 As SG B:Cys384 2.60 As C B:Cys384 4.79 As CA B:Cys384 3.64 As AS B:Cad950 0.00 As C2 B:Cad950 2.00 As C1 B:Cad950 1.99 interactive model: