The binding sites of Mercury atom in the structure of Human Carbonic Anhydrase II Complexed With Inhibitor 2000-07 (pdb code 1kwq). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1kwq structure was solved by S.GRUENEBERG, M.T.STUBBS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 29.0-2.6 | | Space group | P1211 | | a (A) | 42.690 | | b (A) | 41.690 | | c (A) | 72.640 | | alpha (°) | 90.00 | | beta (°) | 104.78 | | gamma (°) | 90.00 | | Rfactor (%) | 19.4 | | Rfree (%) | 28.3 |
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Mercury binding site 1 out of 1 in 1kwq
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1kwq. 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: Ala134, A: Val135, A: Gln136, A: Gln137, A: Pro138, A: Leu204, A: Glu205, A: Cys206, A: Hoh331, A: Hoh365, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Ala134 | 4.93 | | Hg | O A:Val135 | 3.08 | | Hg | C A:Val135 | 3.93 | | Hg | CA A:Val135 | 4.91 | | Hg | O A:Gln136 | 4.53 | | Hg | N A:Gln136 | 4.46 | | Hg | C A:Gln136 | 3.95 | | Hg | CA A:Gln136 | 4.28 | | Hg | O A:Gln137 | 3.07 | | Hg | N A:Gln137 | 3.59 | | Hg | C A:Gln137 | 3.40 | | Hg | CA A:Gln137 | 4.02 | | Hg | N A:Pro138 | 4.00 | | Hg | CA A:Pro138 | 4.34 | | Hg | CB A:Leu204 | 4.80 | | Hg | O A:Glu205 | 3.59 | | Hg | N A:Glu205 | 4.62 | | Hg | C A:Glu205 | 3.85 | | Hg | CA A:Glu205 | 4.83 | | Hg | N A:Cys206 | 3.93 | | Hg | CB A:Cys206 | 3.23 | | Hg | SG A:Cys206 | 2.24 | | Hg | CA A:Cys206 | 3.70 | | Hg | O A:Hoh331 | 4.16 | | Hg | O A:Hoh365 | 4.01 |
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