The binding sites of Mercury atom in the structure of Structure of Inhibitor Binding to Carbonic Anhydrase II (pdb code 2nng). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 2nng structure was solved by D.W.CHRISTIANSON, K.M.JUDE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 70.0-1.2 | | Space group | P1211 | | a (A) | 42.289 | | b (A) | 41.440 | | c (A) | 71.975 | | alpha (°) | 90.00 | | beta (°) | 104.56 | | gamma (°) | 90.00 | | Rfactor (%) | 13.2 | | Rfree (%) | 16.5 |
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Mercury binding site 1 out of 1 in 2nng
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 2nng. 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: Hoh420, A: Hoh458, A: Hoh487, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Ala134 | 4.83 | | Hg | O A:Val135 | 3.49 | | Hg | C A:Val135 | 3.93 | | Hg | CA A:Val135 | 4.64 | | Hg | O A:Gln136 | 4.34 | | Hg | N A:Gln136 | 4.32 | | Hg | C A:Gln136 | 3.77 | | Hg | CA A:Gln136 | 4.21 | | Hg | O A:Gln137 | 2.98 | | Hg | N A:Gln137 | 3.47 | | Hg | C A:Gln137 | 3.41 | | Hg | CA A:Gln137 | 4.03 | | Hg | N A:Pro138 | 4.05 | | Hg | CA A:Pro138 | 4.28 | | Hg | CB A:Leu204 | 4.80 | | Hg | C A:Leu204 | 4.85 | | Hg | O A:Glu205 | 3.33 | | Hg | N A:Glu205 | 4.25 | | Hg | C A:Glu205 | 3.58 | | Hg | CA A:Glu205 | 4.50 | | Hg | HG A:Cmh206 | 0.00 | | Hg | CM A:Cmh206 | 2.01 | | Hg | N A:Cmh206 | 3.76 | | Hg | CB A:Cmh206 | 3.24 | | Hg | CB A:Cmh206 | 3.06 | | Hg | SG A:Cmh206 | 2.36 | | Hg | SG A:Cmh206 | 4.24 | | Hg | CA A:Cmh206 | 3.54 | | Hg | O A:Hoh420 | 4.48 | | Hg | O A:Hoh458 | 3.84 | | Hg | O A:Hoh487 | 2.75 |
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