Mercury in the structure of Natural Occurring Mutant of Human Abo(H) Galactosyltransferase: Gtb/M214T (pdb 2o1g)

The binding sites of Mercury atom in the structure of Natural Occurring Mutant of Human Abo(H) Galactosyltransferase: Gtb/M214T (pdb code 2o1g). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 2o1g structure was solved by J.A.LETTS, S.N.BORISOVA, S.V.EVANS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.7 Space group C2221 a (A) 52.720 b (A) 150.160 c (A) 79.550 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 21.8 Mercury Binding Sites: Mercury binding site 1 out of 5 in 2o1g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 2o1g. 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: Ala283, A: Cys284, A: Ala287, A: His305, A: Leu306, A: Tyr309, A: Hg403, A: Hoh460, A: Hoh507, A: Hoh555, conact list: Atom Atom Distance (A) Hg O A:Leu280 4.55 Hg O A:Ala283 4.04 Hg C A:Ala283 3.82 Hg CB A:Ala283 4.29 Hg CA A:Ala283 4.69 Hg O A:Cys284 4.89 Hg N A:Cys284 3.42 Hg N A:Cys284 3.41 Hg CB A:Cys284 3.42 Hg CB A:Cys284 3.78 Hg SG A:Cys284 2.50 Hg SG A:Cys284 4.68 Hg C A:Cys284 4.67 Hg C A:Cys284 4.61 Hg CA A:Cys284 3.27 Hg CA A:Cys284 3.30 Hg CB A:Ala287 4.75 Hg O A:His305 3.13 Hg CB A:His305 3.93 Hg CD2 A:His305 4.89 Hg C A:His305 3.78 Hg CG A:His305 4.79 Hg CA A:His305 4.28 Hg N A:Leu306 4.61 Hg N A:Tyr309 4.29 Hg CB A:Tyr309 3.58 Hg CD1 A:Tyr309 4.05 Hg CG A:Tyr309 4.21 Hg CA A:Tyr309 4.25 Hg HG A:Hg403 4.83 Hg O A:Hoh460 3.50 Hg O A:Hoh507 2.51 Hg O A:Hoh555 4.37 interactive model: Mercury binding site 2 out of 5 in 2o1g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 2o1g. 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: Hg403, conact list: Atom Atom Distance (A) Hg O A:Thr281 4.84 Hg O A:Cys284 3.72 Hg O A:Cys284 4.23 Hg CB A:Cys284 3.86 Hg CB A:Cys284 3.69 Hg SG A:Cys284 2.68 Hg C A:Cys284 3.74 Hg C A:Cys284 3.90 Hg CA A:Cys284 4.45 Hg CA A:Cys284 4.41 Hg N A:His285 3.85 Hg CB A:His285 4.61 Hg CA A:His285 3.97 Hg CB A:Met288 4.55 Hg CE A:Met288 3.74 Hg CG A:Met288 3.95 Hg SD A:Met288 2.49 Hg OD2 A:Asp302 4.31 Hg OD1 A:Asp302 4.44 Hg CG A:Asp302 4.42 Hg HG A:Hg403 4.93 interactive model: Mercury binding site 3 out of 5 in 2o1g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 2o1g. 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: Cys284, A: Asp302, A: His305, A: Leu306, A: Hg401, A: Hg402, A: Hoh584, conact list: Atom Atom Distance (A) Hg O A:Leu280 4.54 Hg CD2 A:Leu280 3.34 Hg CG A:Leu280 4.45 Hg CB A:Cys284 3.00 Hg CB A:Cys284 3.02 Hg SG A:Cys284 2.41 Hg SG A:Cys284 2.80 Hg CA A:Cys284 4.50 Hg CA A:Cys284 4.42 Hg O A:Asp302 3.87 Hg C A:Asp302 4.84 Hg O A:His305 4.85 Hg CB A:His305 4.63 Hg C A:His305 4.39 Hg N A:Leu306 3.74 Hg CB A:Leu306 3.98 Hg CD1 A:Leu306 4.34 Hg CG A:Leu306 4.91 Hg CA A:Leu306 3.81 Hg HG A:Hg401 4.83 Hg HG A:Hg402 4.93 Hg O A:Hoh584 4.56 interactive model: Mercury binding site 4 out of 5 in 2o1g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 2o1g. 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: Hoh406, A: Hoh517, A: Hoh577, conact list: Atom Atom Distance (A) Hg CB A:Thr119 3.82 Hg CG2 A:Thr119 3.97 Hg OG1 A:Thr119 2.75 Hg CD1 A:Leu207 4.77 Hg N A:Cys209 4.76 Hg CB A:Cys209 3.26 Hg SG A:Cys209 2.30 Hg CA A:Cys209 4.14 Hg CZ A:Phe270 4.90 Hg CE1 A:Phe270 4.97 Hg CG1 A:Val277 4.36 Hg O A:Hoh406 3.59 Hg O A:Hoh517 1.38 Hg O A:Hoh577 2.40 interactive model: Mercury binding site 5 out of 5 in 2o1g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Mercury in the PDB 2o1g. 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: Cys80, A: Gly98, A: Thr99, A: Hoh425, A: Hoh464, A: Hoh496, A: Hoh504, A: Hoh508, A: Hoh583, conact list: Atom Atom Distance (A) Hg O A:Cys80 4.74 Hg N A:Cys80 4.25 Hg CB A:Cys80 3.14 Hg SG A:Cys80 2.23 Hg C A:Cys80 4.62 Hg CA A:Cys80 3.43 Hg O A:Gly98 2.80 Hg C A:Gly98 3.99 Hg O A:Thr99 4.50 Hg N A:Thr99 4.67 Hg C A:Thr99 4.59 Hg CA A:Thr99 4.29 Hg O A:Hoh425 4.04 Hg O A:Hoh464 3.67 Hg O A:Hoh496 3.26 Hg O A:Hoh504 3.65 Hg O A:Hoh508 3.36 Hg O A:Hoh583 4.01 interactive model: