Mercury in the structure of Crystal Structure of N-Acetylglucosaminyltransferase I (pdb 1fo8)

The binding sites of Mercury atom in the structure of Crystal Structure of N-Acetylglucosaminyltransferase I (pdb code 1fo8). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1fo8 structure was solved by U.M.UNLIGIL, S.ZHOU, S.YUWARAJ, M.SARKAR, H.SCHACHTER, J.M.RINI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 31.7-1.4 Space group P212121 a (A) 40.382 b (A) 82.378 c (A) 102.487 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.5 Rfree (%) 18.5 Mercury Binding Sites: Mercury binding site 1 out of 2 in 1fo8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1fo8. 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: Val112, A: Cys123, A: Leu124, A: Leu127, A: Val210, A: Glu211, A: Leu214, A: Glu215, A: Val216, A: Mmc1448, A: Hoh1520, conact list: Atom Atom Distance (A) Hg CG2 A:Val112 4.98 Hg O A:Cys123 3.97 Hg O A:Cys123 3.98 Hg CB A:Cys123 3.27 Hg CB A:Cys123 3.13 Hg SG A:Cys123 2.34 Hg SG A:Cys123 4.52 Hg C A:Cys123 4.06 Hg C A:Cys123 4.09 Hg CA A:Cys123 3.81 Hg CA A:Cys123 3.83 Hg N A:Leu124 4.99 Hg CD1 A:Leu127 3.72 Hg CD2 A:Leu127 4.75 Hg CG A:Leu127 4.11 Hg CB A:Val210 4.15 Hg CG2 A:Val210 3.75 Hg CG1 A:Val210 4.93 Hg O A:Glu211 3.59 Hg C A:Glu211 4.65 Hg O A:Leu214 2.96 Hg N A:Leu214 4.50 Hg CB A:Leu214 4.18 Hg C A:Leu214 3.90 Hg CA A:Leu214 4.42 Hg N A:Glu215 4.95 Hg CG1 A:Val216 4.86 Hg HG A:Mmc1448 0.00 Hg HG A:Mmc1448 4.86 Hg C A:Mmc1448 2.02 Hg O A:Hoh1520 3.35 interactive model: Mercury binding site 2 out of 2 in 1fo8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1fo8. 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: Arg122, A: Cys123, A: Asp212, A: Asp213, A: Leu214, A: Glu215, A: Phe316, A: Mmc1448, A: Hoh1674, conact list: Atom Atom Distance (A) Hg O A:Thr119 4.05 Hg O A:Arg122 4.85 Hg CB A:Arg122 4.41 Hg CD A:Arg122 4.96 Hg C A:Arg122 4.16 Hg CG A:Arg122 4.58 Hg CA A:Arg122 4.82 Hg N A:Cys123 3.30 Hg N A:Cys123 3.31 Hg CB A:Cys123 2.99 Hg CB A:Cys123 3.03 Hg SG A:Cys123 4.51 Hg SG A:Cys123 2.34 Hg C A:Cys123 4.83 Hg C A:Cys123 4.86 Hg CA A:Cys123 3.30 Hg CA A:Cys123 3.34 Hg O A:Asp212 2.90 Hg C A:Asp212 3.56 Hg CA A:Asp212 4.73 Hg O A:Asp213 3.97 Hg N A:Asp213 3.85 Hg CB A:Asp213 4.83 Hg C A:Asp213 3.29 Hg CA A:Asp213 3.44 Hg O A:Leu214 3.04 Hg N A:Leu214 3.16 Hg C A:Leu214 3.48 Hg CA A:Leu214 3.87 Hg N A:Glu215 4.28 Hg CA A:Glu215 4.83 Hg CE2 A:Phe316 1.68 Hg CE2 A:Phe316 4.32 Hg CD1 A:Phe316 3.89 Hg CD1 A:Phe316 3.34 Hg CD2 A:Phe316 3.02 Hg CD2 A:Phe316 4.65 Hg CZ A:Phe316 1.65 Hg CZ A:Phe316 3.46 Hg CE1 A:Phe316 3.00 Hg CE1 A:Phe316 2.87 Hg CG A:Phe316 3.92 Hg CG A:Phe316 4.24 Hg HG A:Mmc1448 4.86 Hg HG A:Mmc1448 0.00 Hg C A:Mmc1448 2.02 Hg O A:Hoh1674 4.55 interactive model: