The binding sites of Mercury atom in the structure of Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-Yl-2- Methyl-Propyl)-4-Sulfamoyl-Benzamide (pdb code 1if8). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1if8 structure was solved by B.A.GRZYBOWSKI, A.V.ISHCHENKO, C.-Y.KIM, G.TOPALOV, R.CHAPMAN, D.W.CHRISTIANSON, G.M.WHITESIDES, E.I.SHAKHNOVICH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-1.9 | | Space group | P1211 | | a (A) | 43.200 | | b (A) | 42.300 | | c (A) | 73.900 | | alpha (°) | 90.00 | | beta (°) | 104.70 | | gamma (°) | 90.00 | | Rfactor (%) | 22 | | Rfree (%) | 29.3 |
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Mercury binding site 1 out of 1 in 1if8
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1if8. 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: Hoh266, A: Hoh276, A: Hoh282, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Val135 | 3.55 | | Hg | C A:Val135 | 4.10 | | Hg | CA A:Val135 | 4.92 | | Hg | O A:Gln136 | 4.63 | | Hg | N A:Gln136 | 4.51 | | Hg | C A:Gln136 | 4.15 | | Hg | CA A:Gln136 | 4.45 | | Hg | O A:Gln137 | 3.23 | | Hg | N A:Gln137 | 3.91 | | Hg | C A:Gln137 | 3.73 | | Hg | CA A:Gln137 | 4.37 | | Hg | N A:Pro138 | 4.45 | | Hg | CA A:Pro138 | 4.75 | | Hg | CB A:Leu204 | 4.49 | | Hg | C A:Leu204 | 4.65 | | Hg | O A:Glu205 | 3.51 | | Hg | N A:Glu205 | 4.19 | | Hg | C A:Glu205 | 3.53 | | Hg | CA A:Glu205 | 4.44 | | Hg | N A:Cys206 | 3.51 | | Hg | CB A:Cys206 | 2.86 | | Hg | SG A:Cys206 | 1.60 | | Hg | C A:Cys206 | 4.87 | | Hg | CA A:Cys206 | 3.40 | | Hg | O A:Hoh266 | 4.16 | | Hg | O A:Hoh276 | 4.73 | | Hg | O A:Hoh282 | 3.86 |
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