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 |
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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:
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