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

The binding sites of Manganese 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 Manganese 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 Manganese Binding Sites: Manganese 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 Manganese in the PDB 2i0k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asn542, A: Thr547, A: Glu579, A: Cac703, A: Hoh1060, A: Hoh1068, A: Hoh1074, A: Hoh1105, A: Hoh1135, A: Hoh1155, A: Hoh1250, A: Hoh2030, A: Hoh2331, A: Hoh2419, A: Hoh2437, conact list: Atom Atom Distance (A) Mn CB A:Asn542 4.51 Mn ND2 A:Asn542 3.95 Mn C A:Asn542 4.97 Mn OD1 A:Asn542 2.20 Mn CG A:Asn542 3.33 Mn CA A:Asn542 4.72 Mn OG1 A:Thr547 4.61 Mn OE1 A:Glu579 3.36 Mn OE2 A:Glu579 2.27 Mn CD A:Glu579 3.16 Mn CG A:Glu579 4.54 Mn O1 A:Cac703 4.48 Mn O2 A:Cac703 2.07 Mn AS A:Cac703 3.53 Mn C2 A:Cac703 4.98 Mn C1 A:Cac703 3.98 Mn O A:Hoh1060 4.19 Mn O A:Hoh1068 4.12 Mn O A:Hoh1074 2.28 Mn O A:Hoh1105 4.38 Mn O A:Hoh1135 2.14 Mn O A:Hoh1155 4.27 Mn O A:Hoh1250 2.15 Mn O A:Hoh2030 4.17 Mn O A:Hoh2331 4.95 Mn O A:Hoh2419 4.45 Mn O A:Hoh2437 4.17 interactive model: Manganese 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 Manganese in the PDB 2i0k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp544, A: Asp545, A: Hoh1133, A: Hoh1176, A: Hoh2312, A: Hoh2353, A: Hoh2400, A: Hoh2401, A: Hoh2402, A: Hoh2561, conact list: Atom Atom Distance (A) Mn O A:Asp544 4.47 Mn CB A:Asp544 4.50 Mn CB A:Asp544 4.33 Mn OD2 A:Asp544 3.35 Mn OD2 A:Asp544 4.09 Mn C A:Asp544 4.43 Mn OD1 A:Asp544 2.17 Mn CG A:Asp544 3.14 Mn CG A:Asp544 4.63 Mn N A:Asp545 4.48 Mn CB A:Asp545 4.34 Mn OD2 A:Asp545 3.49 Mn OD1 A:Asp545 2.07 Mn CG A:Asp545 3.11 Mn CA A:Asp545 4.55 Mn O A:Hoh1133 4.55 Mn O A:Hoh1176 4.37 Mn O A:Hoh2312 4.70 Mn O A:Hoh2353 4.52 Mn O A:Hoh2400 2.13 Mn O A:Hoh2401 1.97 Mn O A:Hoh2402 2.26 Mn O A:Hoh2561 4.44 interactive model: