Arsenic in the structure of Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant (pdb 2i0k)

The binding sites of Arsenic atom in the structure of Cholesterol Oxidase From Brevibacterium Sterolicum- HIS121ALA Mutant (pdb code 2i0k). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 2i0k structure was solved by A.VRIELINK, L.LIM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 72.5-1.6 Space group C121 a (A) 140.635 b (A) 85.851 c (A) 78.755 alpha (°) 90.00 beta (°) 112.48 gamma (°) 90.00 Rfactor (%) 14.8 Rfree (%) 16.7 Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 2i0k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2i0k. 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: Asn542, A: Asn543, A: Glu579, A: Mn701, A: Cac703, A: Hoh1060, A: Hoh1068, A: Hoh1074, A: Hoh1082, A: Hoh1135, conact list: Atom Atom Distance (A) As O A:Asn542 4.38 As ND2 A:Asn542 4.97 As C A:Asn542 4.61 As OD1 A:Asn542 3.80 As CG A:Asn542 4.59 As N A:Asn543 4.70 As CA A:Asn543 4.68 As OE2 A:Glu579 4.70 As MN A:Mn701 3.53 As O1 A:Cac703 1.74 As O2 A:Cac703 1.75 As AS A:Cac703 0.00 As C2 A:Cac703 1.96 As C1 A:Cac703 1.95 As O A:Hoh1060 3.83 As O A:Hoh1068 3.65 As O A:Hoh1074 4.31 As O A:Hoh1082 4.07 As O A:Hoh1135 3.94 interactive model: Arsenic binding site 2 out of 2 in 2i0k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 2i0k. 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: Ile423, A: Glu432, A: Glu475, A: Arg477, A: Lys554, A: Cac705, A: Fad700, A: Gol706, A: Hoh1083, A: Hoh2319, conact list: Atom Atom Distance (A) As CD1 A:Ile423 4.93 As OE1 A:Glu432 3.72 As OE2 A:Glu432 4.06 As CD A:Glu432 4.32 As OE1 A:Glu475 3.97 As CZ A:Arg477 4.41 As CZ A:Arg477 4.43 As NE A:Arg477 4.97 As NH2 A:Arg477 3.59 As NH2 A:Arg477 3.80 As NH1 A:Arg477 4.82 As CE A:Lys554 4.45 As NZ A:Lys554 3.67 As O1 A:Cac705 1.76 As O2 A:Cac705 1.74 As AS A:Cac705 0.00 As C2 A:Cac705 1.96 As C1 A:Cac705 1.97 As N5 A:Fad700 3.98 As C6 A:Fad700 4.65 As C4X A:Fad700 4.51 As C4 A:Fad700 4.70 As O4 A:Fad700 4.65 As C5X A:Fad700 4.49 As O3 A:Gol706 4.26 As O A:Hoh1083 4.72 As O A:Hoh2319 3.95 interactive model: