The binding sites of Zinc atom in the structure of Metallo-Beta-Lactamase From Bacillus Cereus 569/H/9 C168S Mutant (pdb code 1dxk). This binding sites where shown with 5.0 Angstroms radius around Zinc atom. The 1dxk structure was solved by L.CHANTALAT, E.DUEE, O.DIDEBERG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 8.0-1.9 | Space group | C121 | a (A) | 52.790 | b (A) | 61.250 | c (A) | 69.280 | alpha (°) | 90.00 | beta (°) | 92.93 | gamma (°) | 90.00 | Rfactor (%) | 20.54 | Rfree (%) | 26.12 |
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Zinc binding site 1 out of 1 in 1dxk
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Zinc in the PDB 1dxk. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His86, A: His88, A: Asp90, A: His149, A: Thr150, A: Ser168, A: Bct230, A: Hoh2097, A: Hoh2232, | conact list:
Atom | Atom | Distance (A) | Zn | NE2 A:His86 | 2.10 | Zn | ND1 A:His86 | 4.18 | Zn | CD2 A:His86 | 3.07 | Zn | CE1 A:His86 | 3.07 | Zn | CG A:His86 | 4.20 | Zn | NE2 A:His88 | 4.23 | Zn | CB A:His88 | 3.34 | Zn | ND1 A:His88 | 2.06 | Zn | CD2 A:His88 | 4.22 | Zn | CE1 A:His88 | 3.09 | Zn | CG A:His88 | 3.05 | Zn | CA A:His88 | 4.82 | Zn | OD1 A:Asp90 | 4.43 | Zn | NE2 A:His149 | 2.04 | Zn | ND1 A:His149 | 4.17 | Zn | CD2 A:His149 | 3.06 | Zn | CE1 A:His149 | 3.02 | Zn | CG A:His149 | 4.21 | Zn | CG2 A:Thr150 | 4.42 | Zn | CB A:Ser168 | 4.09 | Zn | OG A:Ser168 | 3.89 | Zn | O1 A:Bct230 | 4.38 | Zn | O2 A:Bct230 | 4.05 | Zn | C A:Bct230 | 4.31 | Zn | O A:Hoh2097 | 2.96 | Zn | O A:Hoh2232 | 2.26 |
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