The binding sites of Mercury atom in the structure of Human Carbonic Anhydrase II Complexed With Two-Prong Inhibitors (pdb code 2fos). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 2fos structure was solved by K.M.JUDE, D.W.CHRISTIANSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 80.0-1.1 | | Space group | P1211 | | a (A) | 42.444 | | b (A) | 41.640 | | c (A) | 72.278 | | alpha (°) | 90.00 | | beta (°) | 104.24 | | gamma (°) | 90.00 | | Rfactor (%) | 12.7 | | Rfree (%) | 15.3 |
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Mercury binding site 1 out of 1 in 2fos
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 2fos. 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: Cmh206, A: Hoh419, A: Hoh448, A: Hoh484, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Ala134 | 4.87 | | Hg | O A:Val135 | 3.44 | | Hg | C A:Val135 | 3.92 | | Hg | CA A:Val135 | 4.66 | | Hg | O A:Gln136 | 4.47 | | Hg | N A:Gln136 | 4.36 | | Hg | C A:Gln136 | 3.89 | | Hg | CA A:Gln136 | 4.26 | | Hg | O A:Gln137 | 2.99 | | Hg | N A:Gln137 | 3.53 | | Hg | C A:Gln137 | 3.43 | | Hg | CA A:Gln137 | 4.05 | | Hg | N A:Pro138 | 4.13 | | Hg | CA A:Pro138 | 4.39 | | Hg | CB A:Leu204 | 4.65 | | Hg | C A:Leu204 | 4.78 | | Hg | O A:Glu205 | 3.35 | | Hg | N A:Glu205 | 4.23 | | Hg | C A:Glu205 | 3.55 | | Hg | CA A:Glu205 | 4.48 | | Hg | HG A:Cmh206 | 0.00 | | Hg | CM A:Cmh206 | 2.03 | | Hg | N A:Cmh206 | 3.72 | | Hg | CB A:Cmh206 | 3.27 | | Hg | CB A:Cmh206 | 3.18 | | Hg | SG A:Cmh206 | 2.35 | | Hg | SG A:Cmh206 | 2.36 | | Hg | CA A:Cmh206 | 3.54 | | Hg | O A:Hoh419 | 4.57 | | Hg | O A:Hoh448 | 3.97 | | Hg | O A:Hoh484 | 3.05 |
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