The binding sites of Mercury atom in the structure of The Complex Between Human Carbonic Anhydrase II and the Aromatic Inhibitor 1,2,4-Triazole (pdb code 1cra). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1cra structure was solved by S.MANGANI, A.LILJAS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 1.9 | | 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 (%) | n/a | | Rfree (%) | n/a |
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Mercury binding site 1 out of 1 in 1cra
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1cra. 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: Hoh331, A: Hoh362, A: Hoh365, A: Hoh448, A: Hoh483, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Val135 | 3.00 | | Hg | C A:Val135 | 3.91 | | Hg | O A:Gln136 | 4.00 | | Hg | N A:Gln136 | 4.43 | | Hg | C A:Gln136 | 3.59 | | Hg | CA A:Gln136 | 4.06 | | Hg | O A:Gln137 | 3.19 | | Hg | N A:Gln137 | 3.42 | | Hg | C A:Gln137 | 3.48 | | Hg | CA A:Gln137 | 3.99 | | Hg | N A:Pro138 | 4.06 | | Hg | CD A:Pro138 | 4.99 | | Hg | CA A:Pro138 | 4.40 | | Hg | CB A:Leu204 | 4.48 | | Hg | C A:Leu204 | 4.70 | | Hg | O A:Glu205 | 3.37 | | Hg | N A:Glu205 | 4.07 | | Hg | C A:Glu205 | 3.52 | | Hg | CA A:Glu205 | 4.41 | | Hg | N A:Cys206 | 3.64 | | Hg | CB A:Cys206 | 2.90 | | Hg | SG A:Cys206 | 4.33 | | Hg | C A:Cys206 | 4.85 | | Hg | CA A:Cys206 | 3.40 | | Hg | O A:Hoh331 | 3.66 | | Hg | O A:Hoh362 | 1.99 | | Hg | O A:Hoh365 | 3.92 | | Hg | O A:Hoh448 | 2.39 | | Hg | O A:Hoh483 | 4.56 |
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