The binding sites of Mercury atom in the structure of Carbonic Anhydrase II Complex With the 1OKN Inhibitor 4- Sulfonamide-[1-(4-N-(5-Fluorescein Thiourea)Butane)] (pdb code 1okn). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1okn structure was solved by D.ELBAUM, S.K.NAIR, M.W.PATCHAN, R.B.THOMPSON, D.W.CHRISTIANSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 2.4 | | Space group | P1211 | | a (A) | 42.700 | | b (A) | 41.700 | | c (A) | 73.000 | | alpha (°) | 90.00 | | beta (°) | 104.60 | | gamma (°) | 90.00 | | Rfactor (%) | 15.3 | | Rfree (%) | 26.8 |
|
Mercury binding site 1 out of 1 in 1okn
| 
Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1okn. 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: Hoh607, A: Hoh672, A: Hoh673, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Ala134 | 4.81 | | Hg | O A:Val135 | 3.73 | | Hg | C A:Val135 | 4.04 | | Hg | CA A:Val135 | 4.74 | | Hg | O A:Gln136 | 4.66 | | Hg | N A:Gln136 | 4.39 | | Hg | C A:Gln136 | 4.07 | | Hg | CA A:Gln136 | 4.43 | | Hg | O A:Gln137 | 3.05 | | Hg | N A:Gln137 | 3.61 | | Hg | C A:Gln137 | 3.38 | | Hg | CA A:Gln137 | 4.00 | | Hg | N A:Pro138 | 3.99 | | Hg | CD A:Pro138 | 5.00 | | Hg | CA A:Pro138 | 4.37 | | Hg | CB A:Leu204 | 4.66 | | Hg | C A:Leu204 | 4.87 | | Hg | O A:Glu205 | 3.23 | | Hg | N A:Glu205 | 4.35 | | Hg | C A:Glu205 | 3.60 | | Hg | CA A:Glu205 | 4.57 | | Hg | N A:Cys206 | 3.82 | | Hg | CB A:Cys206 | 3.06 | | Hg | SG A:Cys206 | 2.48 | | Hg | CA A:Cys206 | 3.68 | | Hg | O A:Hoh607 | 3.37 | | Hg | O A:Hoh672 | 3.68 | | Hg | O A:Hoh673 | 3.77 |
| interactive model:
|
|