Mercury in the structure of Glycosyltransferase B (pdb 1lz7)

The binding sites of Mercury atom in the structure of Glycosyltransferase B (pdb code 1lz7). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1lz7 structure was solved by S.I.PATENAUDE, N.O.L.SETO, S.N.BORISOVA, A.SZPACENKO, S.L.MARCUS, M.M.PALCIC, S.V.EVANS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.6 Space group C2221 a (A) 52.800 b (A) 149.960 c (A) 80.040 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.1 Rfree (%) 20.5 Mercury Binding Sites: Mercury binding site 1 out of 3 in 1lz7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1lz7. 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: Thr281, A: Cys284, A: His285, A: Met288, A: Asp302, A: Hg402, conact list: Atom Atom Distance (A) Hg O A:Thr281 4.86 Hg O A:Cys284 4.04 Hg O A:Cys284 3.91 Hg CB A:Cys284 3.67 Hg CB A:Cys284 3.92 Hg SG A:Cys284 2.63 Hg C A:Cys284 3.82 Hg C A:Cys284 3.79 Hg CA A:Cys284 4.39 Hg CA A:Cys284 4.47 Hg N A:His285 3.77 Hg CB A:His285 4.67 Hg CA A:His285 3.97 Hg CB A:Met288 4.65 Hg CE A:Met288 4.73 Hg CG A:Met288 3.98 Hg SD A:Met288 3.06 Hg CB A:Asp302 4.65 Hg OD2 A:Asp302 4.85 Hg OD1 A:Asp302 2.87 Hg CG A:Asp302 3.97 Hg CA A:Asp302 4.99 Hg HG A:Hg402 4.95 interactive model: Mercury binding site 2 out of 3 in 1lz7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1lz7. 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: Leu280, A: Thr281, A: Cys284, A: Asp302, A: His305, A: Leu306, A: Hg401, A: Hoh751, conact list: Atom Atom Distance (A) Hg O A:Leu280 4.30 Hg CD2 A:Leu280 3.23 Hg C A:Leu280 4.82 Hg CG A:Leu280 4.32 Hg CA A:Thr281 4.87 Hg N A:Cys284 5.00 Hg CB A:Cys284 2.97 Hg CB A:Cys284 2.98 Hg SG A:Cys284 2.93 Hg SG A:Cys284 2.57 Hg CA A:Cys284 4.38 Hg CA A:Cys284 4.48 Hg O A:Asp302 4.13 Hg CB A:His305 5.00 Hg C A:His305 4.70 Hg N A:Leu306 4.11 Hg CB A:Leu306 4.04 Hg CD1 A:Leu306 4.45 Hg CG A:Leu306 4.91 Hg CA A:Leu306 3.98 Hg HG A:Hg401 4.95 Hg O A:Hoh751 4.37 interactive model: Mercury binding site 3 out of 3 in 1lz7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 1lz7. 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: Thr119, A: Leu207, A: Cys209, A: Phe270, A: Val277, A: Hoh528, conact list: Atom Atom Distance (A) Hg CB A:Thr119 4.04 Hg CG2 A:Thr119 4.16 Hg OG1 A:Thr119 2.96 Hg CD1 A:Leu207 4.71 Hg N A:Cys209 4.71 Hg CB A:Cys209 3.32 Hg SG A:Cys209 2.33 Hg CA A:Cys209 4.20 Hg CZ A:Phe270 4.88 Hg CE1 A:Phe270 4.94 Hg CG1 A:Val277 4.22 Hg O A:Hoh528 3.93 interactive model: