Mercury in the structure of Mutant Human Abo(H) Blood Group Transferase A (pdb 1wsz)

The binding sites of Mercury atom in the structure of Mutant Human Abo(H) Blood Group Transferase A (pdb code 1wsz). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1wsz structure was solved by H.J.LEE, C.H.BARRY, S.N.BORISOVA, N.O.L.SETO, R.B.ZHENG, A.BLANCHER, S.V.EVANS, M.M.PALCIC, 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) 52.700 b (A) 150.100 c (A) 79.700 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.9 Rfree (%) 24.4 Mercury Binding Sites: Mercury binding site 1 out of 4 in 1wsz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1wsz. 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 3.65 Hg CB A:Cys284 3.85 Hg C A:Cys284 3.72 Hg CA A:Cys284 4.44 Hg N A:His285 3.87 Hg CB A:His285 4.73 Hg CA A:His285 4.00 Hg CB A:Met288 4.62 Hg CE A:Met288 4.58 Hg CG A:Met288 3.85 Hg SD A:Met288 2.92 Hg CB A:Asp302 4.81 Hg OD1 A:Asp302 2.94 Hg CG A:Asp302 4.14 Hg HG A:Hg402 4.84 interactive model: Mercury binding site 2 out of 4 in 1wsz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1wsz. 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: Hoh667, conact list: Atom Atom Distance (A) Hg O A:Leu280 4.64 Hg CD2 A:Leu280 3.33 Hg CG A:Leu280 4.57 Hg CB A:Cys284 3.10 Hg SG A:Cys284 2.64 Hg CA A:Cys284 4.62 Hg O A:Asp302 3.73 Hg CB A:Asp302 4.88 Hg C A:Asp302 4.59 Hg CA A:Asp302 4.93 Hg O A:His305 4.99 Hg CB A:His305 4.76 Hg C A:His305 4.54 Hg N A:Leu306 3.90 Hg CB A:Leu306 3.67 Hg CD1 A:Leu306 4.45 Hg CG A:Leu306 4.45 Hg CA A:Leu306 3.82 Hg HG A:Hg401 4.84 Hg O A:Hoh667 4.23 interactive model: Mercury binding site 3 out of 4 in 1wsz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 1wsz. 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: Hoh501, conact list: Atom Atom Distance (A) Hg CB A:Thr119 3.92 Hg CG2 A:Thr119 4.06 Hg OG1 A:Thr119 2.87 Hg CD1 A:Leu207 4.81 Hg N A:Cys209 4.71 Hg CB A:Cys209 3.23 Hg SG A:Cys209 2.52 Hg CA A:Cys209 4.23 Hg CZ A:Phe270 4.82 Hg CG1 A:Val277 4.36 Hg O A:Hoh501 3.88 interactive model: Mercury binding site 4 out of 4 in 1wsz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 1wsz. 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: Hoh606, conact list: Atom Atom Distance (A) Hg O A:Leu280 4.60 Hg O A:Ala283 4.07 Hg C A:Ala283 3.86 Hg CB A:Ala283 4.29 Hg CA A:Ala283 4.75 Hg N A:Cys284 3.48 Hg CB A:Cys284 3.50 Hg SG A:Cys284 2.58 Hg C A:Cys284 4.68 Hg CA A:Cys284 3.30 Hg CB A:Ala287 4.61 Hg O A:His305 3.11 Hg CB A:His305 3.87 Hg CD2 A:His305 4.90 Hg C A:His305 3.79 Hg CG A:His305 4.76 Hg CA A:His305 4.27 Hg N A:Leu306 4.67 Hg CA A:Leu306 4.99 Hg N A:Tyr309 4.33 Hg CB A:Tyr309 3.56 Hg CD1 A:Tyr309 4.12 Hg CG A:Tyr309 4.24 Hg CA A:Tyr309 4.34 Hg O A:Hoh606 4.84 interactive model: