Mercury in the structure of Full Matrix Error Analysis of Carbonic Anhydrase (pdb 1lug)

The binding sites of Mercury atom in the structure of Full Matrix Error Analysis of Carbonic Anhydrase (pdb code 1lug). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1lug structure was solved by E.A.MERRITT, I.LE TRONG, C.A.BEHNKE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-0.9 Space group P1211 a (A) 42.064 b (A) 41.311 c (A) 71.868 alpha (°) 90.00 beta (°) 104.23 gamma (°) 90.00 Rfactor (%) 11.9 Rfree (%) 14.1 Mercury Binding Sites: Mercury binding site 1 out of 3 in 1lug Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1lug. 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: Phe130, A: Val134, A: Leu197, A: Pro201, A: Sua1002, conact list: Atom Atom Distance (A) Hg CD1 A:Phe130 4.77 Hg CZ A:Phe130 4.09 Hg CE1 A:Phe130 3.65 Hg CG2 A:Val134 4.88 Hg CD1 A:Leu197 4.54 Hg CD A:Pro201 4.30 Hg CG A:Pro201 4.36 Hg N2 A:Sua1002 3.47 Hg S2 A:Sua1002 2.70 Hg O3 A:Sua1002 4.66 Hg C6 A:Sua1002 4.72 Hg C7 A:Sua1002 3.58 Hg C7 A:Sua1002 2.28 interactive model: Mercury binding site 2 out of 3 in 1lug Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1lug. 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: Val134, A: Gln135, A: Gln136, A: Pro137, A: Leu203, A: Glu204, A: Cys205, A: Mbo1205, A: Hoh1905, A: Hoh2246, A: Hoh2298, conact list: Atom Atom Distance (A) Hg O A:Val134 4.10 Hg C A:Val134 4.60 Hg O A:Gln135 4.67 Hg N A:Gln135 4.95 Hg C A:Gln135 4.21 Hg CA A:Gln135 4.73 Hg O A:Gln136 2.92 Hg N A:Gln136 3.74 Hg C A:Gln136 3.33 Hg CA A:Gln136 4.07 Hg N A:Pro137 3.88 Hg CD A:Pro137 4.85 Hg C A:Pro137 4.92 Hg CA A:Pro137 3.99 Hg C A:Leu203 4.91 Hg O A:Glu204 2.99 Hg N A:Glu204 4.18 Hg CB A:Glu204 4.92 Hg C A:Glu204 3.36 Hg CA A:Glu204 4.30 Hg N A:Cys205 3.68 Hg CB A:Cys205 3.28 Hg CB A:Cys205 3.79 Hg SG A:Cys205 2.31 Hg SG A:Cys205 3.28 Hg C A:Cys205 4.99 Hg CA A:Cys205 3.54 Hg CE4 A:Mbo1205 4.95 Hg CE4 A:Mbo1205 4.13 Hg HG A:Mbo1205 0.00 Hg HG A:Mbo1205 1.26 Hg CE5 A:Mbo1205 4.41 Hg CE5 A:Mbo1205 3.35 Hg CE2 A:Mbo1205 3.08 Hg CE2 A:Mbo1205 2.88 Hg CE6 A:Mbo1205 3.06 Hg CE6 A:Mbo1205 1.91 Hg CE1 A:Mbo1205 2.08 Hg CE1 A:Mbo1205 1.42 Hg CE3 A:Mbo1205 4.42 Hg CE3 A:Mbo1205 3.98 Hg O A:Hoh1905 2.97 Hg O A:Hoh1905 4.16 Hg O A:Hoh2246 3.76 Hg O A:Hoh2298 4.87 interactive model: Mercury binding site 3 out of 3 in 1lug Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 1lug. 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: Ala133, A: Val134, A: Gln135, A: Gln136, A: Pro137, A: Leu203, A: Glu204, A: Cys205, A: Mbo1205, A: Hoh1905, A: Hoh2246, conact list: Atom Atom Distance (A) Hg O A:Ala133 4.61 Hg O A:Val134 3.04 Hg CB A:Val134 4.85 Hg C A:Val134 3.58 Hg CA A:Val134 4.15 Hg O A:Gln135 4.83 Hg N A:Gln135 4.18 Hg C A:Gln135 4.08 Hg CA A:Gln135 4.25 Hg O A:Gln136 3.15 Hg N A:Gln136 3.64 Hg C A:Gln136 3.81 Hg CA A:Gln136 4.32 Hg N A:Pro137 4.67 Hg CA A:Pro137 4.91 Hg CB A:Leu203 4.15 Hg C A:Leu203 4.53 Hg CA A:Leu203 4.88 Hg O A:Glu204 3.75 Hg N A:Glu204 4.14 Hg C A:Glu204 3.73 Hg CA A:Glu204 4.57 Hg N A:Cys205 3.68 Hg CB A:Cys205 2.71 Hg CB A:Cys205 3.24 Hg SG A:Cys205 1.27 Hg SG A:Cys205 2.28 Hg C A:Cys205 4.93 Hg CA A:Cys205 3.49 Hg CE4 A:Mbo1205 4.82 Hg HG A:Mbo1205 1.26 Hg HG A:Mbo1205 0.00 Hg CE5 A:Mbo1205 4.30 Hg CE2 A:Mbo1205 4.07 Hg CE2 A:Mbo1205 2.98 Hg CE6 A:Mbo1205 4.30 Hg CE6 A:Mbo1205 2.92 Hg CE1 A:Mbo1205 3.27 Hg CE1 A:Mbo1205 1.91 Hg CE3 A:Mbo1205 4.31 Hg O A:Hoh1905 2.55 Hg O A:Hoh2246 3.86 interactive model: