Arsenic in the structure of Bovine Endothelial Nos Heme Domain With (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound (pdb 1p6m)

The binding sites of Arsenic atom in the structure of Bovine Endothelial Nos Heme Domain With (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound (pdb code 1p6m). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1p6m structure was solved by M.L.FLINSPACH, H.LI, J.JAMAL, W.YANG, H.HUANG, J.-M.HAH, J.A.GOMEZ-VIDAL, E.A.LITZINGER, R.B.SILVERMAN, T.L.POULOS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 46.9-2.3 Space group P212121 a (A) 58.033 b (A) 106.085 c (A) 156.667 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.5 Rfree (%) 27.8 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 1p6m Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1p6m. 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: Cac850, conact list: Atom Atom Distance (A) As CB A:Trp324 4.68 As CD2 A:Trp324 4.67 As CE3 A:Trp324 4.46 As CG A:Trp324 4.79 As CD2 A:Leu328 4.93 As N A:Cys384 4.82 As CB A:Cys384 3.28 As SG A:Cys384 2.32 As CA A:Cys384 3.97 As AS A:Cac850 0.00 As C2 A:Cac850 1.84 As C1 A:Cac850 1.84 interactive model: Arsenic binding site 2 out of 2 in 1p6m Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1p6m. 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: Cac852, conact list: Atom Atom Distance (A) As CB B:Trp324 4.68 As CD2 B:Trp324 4.58 As CE3 B:Trp324 4.18 As CG B:Trp324 4.81 As CZ3 B:Trp324 4.81 As CB B:Cys384 3.71 As SG B:Cys384 3.16 As CA B:Cys384 4.30 As AS B:Cac852 0.00 As C2 B:Cac852 1.83 As C1 B:Cac852 1.83 interactive model: