The binding sites of Mercury atom in the structure of Carbonic Anhydrase II Complexed With Al-6619 2H-Thieno[3,2- E]-1,2-Thiazine-6-Sulfonamide, 2-(3-Hydroxyphenyl)-3-(4- Morpholinyl)-, 1,1-Dioxide (pdb code 1i91). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1i91 structure was solved by C.-Y.KIM, J.S.CHANG, J.LIAO, J.A.MAY, D.W.CHRISTIANSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-2.0 | | Space group | P1211 | | a (A) | 42.400 | | b (A) | 41.000 | | c (A) | 72.200 | | alpha (°) | 90.00 | | beta (°) | 104.90 | | gamma (°) | 90.00 | | Rfactor (%) | 15.1 | | Rfree (%) | 20.5 |
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Mercury binding site 1 out of 1 in 1i91
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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 1i91. 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: Val135, A: Gln136, A: Gln137, A: Pro138, A: Leu204, A: Glu205, A: Cys206, A: Hoh284, A: Hoh299, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Val135 | 3.35 | | Hg | C A:Val135 | 4.13 | | Hg | O A:Gln136 | 4.33 | | Hg | N A:Gln136 | 4.60 | | Hg | C A:Gln136 | 3.95 | | Hg | CA A:Gln136 | 4.39 | | Hg | O A:Gln137 | 3.10 | | Hg | N A:Gln137 | 3.73 | | Hg | C A:Gln137 | 3.54 | | Hg | CA A:Gln137 | 4.13 | | Hg | N A:Pro138 | 4.28 | | Hg | CA A:Pro138 | 4.63 | | Hg | CB A:Leu204 | 4.74 | | Hg | C A:Leu204 | 4.85 | | Hg | O A:Glu205 | 3.26 | | Hg | N A:Glu205 | 4.36 | | Hg | C A:Glu205 | 3.56 | | Hg | CA A:Glu205 | 4.57 | | Hg | N A:Cys206 | 3.65 | | Hg | CB A:Cys206 | 2.91 | | Hg | SG A:Cys206 | 1.60 | | Hg | C A:Cys206 | 4.92 | | Hg | CA A:Cys206 | 3.45 | | Hg | O A:Hoh284 | 4.39 | | Hg | O A:Hoh299 | 4.12 |
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