The binding sites of Mercury atom in the structure of Carbonic Anhydrase II (F131V) Complexed With 4- (Aminosulfonyl)-N-[(2,3-Difluorophenyl)Methyl]-Benzamide (pdb code 1g46). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1g46 structure was solved by C.-Y.KIM, J.S.CHANG, J.B.DOYON, T.T.BAIRD JR., C.A.FIERKE, 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) | 42.860 | | b (A) | 41.840 | | c (A) | 72.810 | | alpha (°) | 90.00 | | beta (°) | 104.70 | | gamma (°) | 90.00 | | Rfactor (%) | 18.5 | | Rfree (%) | 23.6 |
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Mercury binding site 1 out of 1 in 1g46
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1g46. 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: Hoh331, A: Hoh342, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Ala134 | 4.87 | | Hg | O A:Val135 | 2.75 | | Hg | C A:Val135 | 3.72 | | Hg | CA A:Val135 | 4.87 | | Hg | O A:Gln136 | 3.89 | | Hg | N A:Gln136 | 4.20 | | Hg | C A:Gln136 | 3.42 | | Hg | CA A:Gln136 | 3.89 | | Hg | O A:Gln137 | 2.99 | | Hg | N A:Gln137 | 3.23 | | Hg | C A:Gln137 | 3.19 | | Hg | CA A:Gln137 | 3.69 | | Hg | N A:Pro138 | 3.86 | | Hg | CD A:Pro138 | 4.92 | | Hg | CA A:Pro138 | 4.29 | | Hg | CB A:Leu204 | 4.90 | | Hg | O A:Glu205 | 3.63 | | Hg | N A:Glu205 | 4.60 | | Hg | C A:Glu205 | 3.83 | | Hg | CA A:Glu205 | 4.82 | | Hg | N A:Cys206 | 3.88 | | Hg | CB A:Cys206 | 3.05 | | Hg | SG A:Cys206 | 4.34 | | Hg | CA A:Cys206 | 3.60 | | Hg | O A:Hoh331 | 4.53 | | Hg | O A:Hoh342 | 4.00 |
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