Arsenic in the structure of Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii (pdb 3fkg)

The binding sites of Arsenic atom in the structure of Crystal Structure Analysis of Fungal Versatile Peroxidase From Pleurotus Eryngii (pdb code 3fkg). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 3fkg structure was solved by K.PIONTEK, A.T.MARTINEZ, T.CHOINOWSKI, D.A.PLATTNER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 32.9-1.8 Space group P43 a (A) 62.683 b (A) 62.683 c (A) 98.217 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 15.2 Rfree (%) 20.1 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 3fkg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 3fkg. 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: His136, A: Val138, A: Glu140, A: Asp143, A: Ser147, A: Zn334, A: Zn338, A: Cac342, A: Cac343, A: Hoh413, A: Hoh418, A: Hoh461, A: Hoh561, conact list: Atom Atom Distance (A) As O A:His136 3.61 As CB A:His136 4.40 As ND1 A:His136 4.77 As C A:His136 4.18 As CA A:His136 4.36 As O A:Val138 4.73 As OE1 A:Glu140 3.95 As CD A:Glu140 4.82 As OD2 A:Asp143 4.03 As OD1 A:Asp143 4.65 As CG A:Asp143 4.69 As OG A:Ser147 4.90 As ZN A:Zn334 3.20 As ZN A:Zn338 3.25 As O1 A:Cac342 1.74 As O2 A:Cac342 1.71 As AS A:Cac342 0.00 As C2 A:Cac342 1.96 As C1 A:Cac342 1.95 As O1 A:Cac343 4.42 As O2 A:Cac343 4.53 As AS A:Cac343 4.63 As C2 A:Cac343 4.06 As O A:Hoh413 4.59 As O A:Hoh418 3.89 As O A:Hoh461 3.97 As O A:Hoh561 4.45 interactive model: Arsenic binding site 2 out of 2 in 3fkg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 3fkg. 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: His136, A: Glu140, A: Phe142, A: Asp143, A: Zn334, A: Zn338, A: Cac342, A: Cac343, A: Hoh374, A: Hoh413, A: Hoh418, A: Hoh484, A: Hoh663, conact list: Atom Atom Distance (A) As ND1 A:His136 4.77 As OE1 A:Glu140 3.43 As OE2 A:Glu140 4.74 As CD A:Glu140 4.49 As CE1 A:Phe142 4.49 As OD1 A:Asp143 4.64 As ZN A:Zn334 3.17 As ZN A:Zn338 3.21 As O1 A:Cac342 3.71 As O2 A:Cac342 4.29 As AS A:Cac342 4.63 As O1 A:Cac343 1.74 As O2 A:Cac343 1.74 As AS A:Cac343 0.00 As C2 A:Cac343 1.95 As C1 A:Cac343 1.96 As O A:Hoh374 3.88 As O A:Hoh413 4.06 As O A:Hoh418 4.71 As O A:Hoh484 4.04 As O A:Hoh663 4.24 interactive model: