Mercury in the structure of Crystal Structure Analysis of Human Carbonic Anhydrase II in Complex With A Benzenesulfonamide Derivative (pdb 2hl4)

The binding sites of Mercury atom in the structure of Crystal Structure Analysis of Human Carbonic Anhydrase II in Complex With A Benzenesulfonamide Derivative (pdb code 2hl4). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 2hl4 structure was solved by A.DI FIORE, C.T.SUPURAN, J.-Y.WINUM, J.-L.MONTERO, C.PEDONE, A.SCOZZAFAVA, G.DE SIMONE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.6 Space group P1211 a (A) 42.070 b (A) 41.120 c (A) 72.060 alpha (°) 90.00 beta (°) 104.51 gamma (°) 90.00 Rfactor (%) 17.6 Rfree (%) 19.8 Mercury Binding Sites: Mercury binding site 1 out of 1 in 2hl4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 2hl4. 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: Mbo266, A: Hoh349, A: Hoh444, A: Hoh469, conact list: Atom Atom Distance (A) Hg O A:Val135 4.09 Hg C A:Val135 4.39 Hg O A:Gln136 4.87 Hg N A:Gln136 4.71 Hg C A:Gln136 4.31 Hg CA A:Gln136 4.72 Hg O A:Gln137 2.90 Hg N A:Gln137 3.88 Hg C A:Gln137 3.43 Hg CA A:Gln137 4.20 Hg N A:Pro138 4.02 Hg C A:Pro138 4.99 Hg CA A:Pro138 4.18 Hg C A:Leu204 4.99 Hg O A:Glu205 3.05 Hg N A:Glu205 4.33 Hg CB A:Glu205 4.98 Hg C A:Glu205 3.40 Hg CA A:Glu205 4.39 Hg N A:Cys206 3.62 Hg CB A:Cys206 3.16 Hg SG A:Cys206 2.30 Hg C A:Cys206 4.97 Hg CA A:Cys206 3.50 Hg CE4 A:Mbo266 4.88 Hg HG A:Mbo266 0.00 Hg CE5 A:Mbo266 4.33 Hg CE2 A:Mbo266 3.01 Hg CE6 A:Mbo266 3.00 Hg CE1 A:Mbo266 2.04 Hg CE3 A:Mbo266 4.33 Hg O A:Hoh349 3.77 Hg O A:Hoh444 2.93 Hg O A:Hoh469 4.95 interactive model: