The binding sites of Mercury atom in the structure of Carbonic Anhydrase II (F131V) Complexed With 4- (Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide (pdb code 1i9q). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1i9q structure was solved by C.-Y.KIM, P.P.CHANDRA, A.JAIN, D.W.CHRISTIANSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-1.8 | | Space group | P1211 | | a (A) | 42.880 | | b (A) | 41.930 | | c (A) | 72.950 | | alpha (°) | 90.00 | | beta (°) | 104.75 | | gamma (°) | 90.00 | | Rfactor (%) | 18.3 | | Rfree (%) | 24 |
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Mercury binding site 1 out of 1 in 1i9q
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1i9q. 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: Cys206, A: Hoh318, A: Hoh353, A: Hoh396, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Ala134 | 4.87 | | Hg | O A:Val135 | 3.02 | | Hg | C A:Val135 | 3.79 | | Hg | CA A:Val135 | 4.88 | | Hg | O A:Gln136 | 3.85 | | Hg | N A:Gln136 | 4.20 | | Hg | C A:Gln136 | 3.45 | | Hg | CA A:Gln136 | 3.93 | | Hg | O A:Gln137 | 3.03 | | Hg | N A:Gln137 | 3.29 | | Hg | C A:Gln137 | 3.24 | | Hg | CA A:Gln137 | 3.73 | | Hg | N A:Pro138 | 3.92 | | Hg | CD A:Pro138 | 4.99 | | Hg | CA A:Pro138 | 4.39 | | Hg | CB A:Leu204 | 4.92 | | Hg | O A:Glu205 | 3.62 | | Hg | N A:Glu205 | 4.65 | | Hg | C A:Glu205 | 3.85 | | Hg | CA A:Glu205 | 4.86 | | Hg | N A:Cys206 | 3.88 | | Hg | CB A:Cys206 | 3.06 | | Hg | SG A:Cys206 | 4.26 | | Hg | CA A:Cys206 | 3.60 | | Hg | O A:Hoh318 | 4.55 | | Hg | O A:Hoh353 | 3.97 | | Hg | O A:Hoh396 | 1.73 |
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