Mercury in the structure of Unprecedented Quaternary Structure of E. Coli Lac Repressor Core Tetramer: Implications For Dna Looping (pdb 1tlf)

The binding sites of Mercury atom in the structure of Unprecedented Quaternary Structure of E. Coli Lac Repressor Core Tetramer: Implications For Dna Looping (pdb code 1tlf). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1tlf structure was solved by A.M.FRIEDMAN, T.O.FISCHMANN, T.A.STEITZ, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 2.6 Space group P1211 a (A) 90.160 b (A) 64.730 c (A) 117.940 alpha (°) 90.00 beta (°) 91.75 gamma (°) 90.00 Rfactor (%) 22.2 Rfree (%) n/a Mercury Binding Sites: Mercury binding site 1 out of 4 in 1tlf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1tlf. 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: Ser280, A: Cys281, B: Ala222, B: Met223, B: Phe226, B: Arg255, conact list: Atom Atom Distance (A) Hg O A:Ser280 2.78 Hg HG A:Ser280 4.43 Hg CB A:Ser280 4.25 Hg OG A:Ser280 3.67 Hg C A:Ser280 3.44 Hg CA A:Ser280 4.48 Hg N A:Cys281 3.79 Hg CB A:Cys281 3.67 Hg SG A:Cys281 2.52 Hg H A:Cys281 4.57 Hg C A:Cys281 5.00 Hg CA A:Cys281 3.60 Hg O B:Ala222 4.99 Hg CE B:Met223 4.00 Hg SD B:Met223 3.60 Hg CA B:Met223 4.90 Hg CB B:Phe226 4.24 Hg CE2 B:Phe226 4.66 Hg CD1 B:Phe226 4.68 Hg CD2 B:Phe226 4.07 Hg CG B:Phe226 4.09 Hg NE B:Arg255 4.90 Hg HH12 B:Arg255 4.26 Hg CG B:Arg255 4.38 Hg NH2 B:Arg255 4.94 Hg NH1 B:Arg255 4.16 Hg HH11 B:Arg255 4.19 Hg CZ B:Arg255 4.50 interactive model: Mercury binding site 2 out of 4 in 1tlf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1tlf. 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: Met223, A: Phe226, A: Arg255, B: Ser280, B: Cys281, conact list: Atom Atom Distance (A) Hg CE A:Met223 3.90 Hg CG A:Met223 4.76 Hg SD A:Met223 3.18 Hg CA A:Met223 4.76 Hg CB A:Phe226 4.34 Hg CE2 A:Phe226 4.65 Hg CD1 A:Phe226 4.64 Hg CD2 A:Phe226 4.18 Hg CG A:Phe226 4.17 Hg HH12 A:Arg255 4.07 Hg CG A:Arg255 4.31 Hg NH1 A:Arg255 4.01 Hg HH11 A:Arg255 3.40 Hg O B:Ser280 3.40 Hg HG B:Ser280 3.69 Hg CB B:Ser280 4.20 Hg OG B:Ser280 3.29 Hg C B:Ser280 3.50 Hg CA B:Ser280 4.47 Hg O B:Cys281 4.96 Hg N B:Cys281 3.41 Hg CB B:Cys281 2.16 Hg SG B:Cys281 2.59 Hg H B:Cys281 3.98 Hg C B:Cys281 4.61 Hg CA B:Cys281 3.28 interactive model: Mercury binding site 3 out of 4 in 1tlf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 1tlf. 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: C: Ser280, C: Cys281, D: Ala222, D: Met223, D: Phe226, D: Arg255, conact list: Atom Atom Distance (A) Hg O C:Ser280 3.93 Hg CB C:Ser280 3.79 Hg OG C:Ser280 4.46 Hg C C:Ser280 3.77 Hg CA C:Ser280 4.47 Hg N C:Cys281 3.52 Hg CB C:Cys281 3.57 Hg H C:Cys281 3.89 Hg CA C:Cys281 3.65 Hg O D:Ala222 4.90 Hg CE D:Met223 3.83 Hg SD D:Met223 3.58 Hg CA D:Met223 4.77 Hg CB D:Phe226 3.93 Hg CE2 D:Phe226 4.86 Hg CD1 D:Phe226 4.05 Hg CD2 D:Phe226 4.26 Hg CE1 D:Phe226 4.68 Hg CG D:Phe226 3.82 Hg HE D:Arg255 3.09 Hg HH21 D:Arg255 4.53 Hg CD D:Arg255 4.41 Hg NE D:Arg255 3.99 Hg CG D:Arg255 4.09 interactive model: Mercury binding site 4 out of 4 in 1tlf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 1tlf. 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: C: Met223, C: Phe226, C: Arg255, D: Ser280, D: Cys281, conact list: Atom Atom Distance (A) Hg SD C:Met223 3.75 Hg CA C:Met223 4.85 Hg CB C:Phe226 4.17 Hg CE2 C:Phe226 4.50 Hg CD1 C:Phe226 4.51 Hg CD2 C:Phe226 3.96 Hg CZ C:Phe226 4.99 Hg CE1 C:Phe226 4.99 Hg CG C:Phe226 3.98 Hg CB C:Arg255 4.91 Hg CD C:Arg255 4.87 Hg HH12 C:Arg255 3.66 Hg CG C:Arg255 3.99 Hg NH1 C:Arg255 3.63 Hg HH11 C:Arg255 3.19 Hg CZ C:Arg255 4.65 Hg O D:Ser280 4.73 Hg HG D:Ser280 4.83 Hg CB D:Ser280 4.15 Hg OG D:Ser280 3.95 Hg C D:Ser280 4.02 Hg CA D:Ser280 4.71 Hg N D:Cys281 3.07 Hg CB D:Cys281 3.39 Hg SG D:Cys281 2.28 Hg H D:Cys281 2.91 Hg C D:Cys281 4.81 Hg CA D:Cys281 3.30 interactive model: