The binding sites of Mercury atom in the structure of Carbonic Anhydrase II Complex With the 1OKL Inhibitor 5- Dimethylamino-Naphthalene-1-Sulfonamide (pdb code 1okl). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1okl structure was solved by S.K.NAIR, D.ELBAUM, D.W.CHRISTIANSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 2.1 | | Space group | P1211 | | a (A) | 42.700 | | b (A) | 41.700 | | c (A) | 73.000 | | alpha (°) | 90.00 | | beta (°) | 104.60 | | gamma (°) | 90.00 | | Rfactor (%) | 18.5 | | Rfree (%) | 23.3 |
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Mercury binding site 1 out of 1 in 1okl
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1okl. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Val134, A: Gln135, A: Gln136, A: Pro137, A: Leu203, A: Glu204, A: Cys205, A: Hoh331, A: Hoh362, A: Hoh365, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Val134 | 3.65 | | Hg | C A:Val134 | 4.13 | | Hg | O A:Gln135 | 4.37 | | Hg | N A:Gln135 | 4.45 | | Hg | C A:Gln135 | 3.90 | | Hg | CA A:Gln135 | 4.31 | | Hg | O A:Gln136 | 3.07 | | Hg | N A:Gln136 | 3.61 | | Hg | C A:Gln136 | 3.40 | | Hg | CA A:Gln136 | 4.01 | | Hg | N A:Pro137 | 4.01 | | Hg | CA A:Pro137 | 4.31 | | Hg | CB A:Leu203 | 4.95 | | Hg | O A:Glu204 | 3.23 | | Hg | N A:Glu204 | 4.50 | | Hg | C A:Glu204 | 3.62 | | Hg | CA A:Glu204 | 4.66 | | Hg | N A:Cys205 | 3.78 | | Hg | CB A:Cys205 | 3.09 | | Hg | SG A:Cys205 | 2.06 | | Hg | C A:Cys205 | 4.99 | | Hg | CA A:Cys205 | 3.53 | | Hg | O A:Hoh331 | 3.87 | | Hg | O A:Hoh362 | 3.47 | | Hg | O A:Hoh365 | 4.19 |
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