Mercury in the structure of Crystal Structure of YFH7 From Saccharomyces Cerevisiae: A Putative P-Loop Containing Kinase With A Circular Permutation. (pdb 2ga8)

The binding sites of Mercury atom in the structure of Crystal Structure of YFH7 From Saccharomyces Cerevisiae: A Putative P-Loop Containing Kinase With A Circular Permutation. (pdb code 2ga8). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 2ga8 structure was solved by V.CHAPTAL, S.MORERA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.8 Space group H3 a (A) 135.278 b (A) 135.278 c (A) 48.476 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.4 Rfree (%) 21.9 Mercury Binding Sites: Mercury binding site 1 out of 4 in 2ga8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 2ga8. 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: Val73, A: Lys204, A: Thr205, A: Leu207, A: Cme208, A: Lys209, A: Hoh690, conact list: Atom Atom Distance (A) Hg CG2 A:Val73 4.92 Hg CG1 A:Val73 4.33 Hg O A:Lys204 2.58 Hg CB A:Lys204 4.87 Hg C A:Lys204 3.73 Hg CG A:Lys204 4.01 Hg CA A:Lys204 4.49 Hg N A:Thr205 4.70 Hg C A:Thr205 4.98 Hg CA A:Thr205 4.77 Hg O A:Leu207 3.64 Hg N A:Leu207 4.78 Hg CB A:Leu207 4.93 Hg C A:Leu207 3.57 Hg CA A:Leu207 4.60 Hg N A:Cme208 3.23 Hg N A:Cme208 3.23 Hg CB A:Cme208 3.16 Hg CB A:Cme208 3.10 Hg SG A:Cme208 4.97 Hg SG A:Cme208 2.28 Hg C A:Cme208 4.36 Hg C A:Cme208 4.37 Hg CA A:Cme208 2.94 Hg CA A:Cme208 2.94 Hg N A:Lys209 4.80 Hg O A:Hoh690 4.77 interactive model: Mercury binding site 2 out of 4 in 2ga8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 2ga8. 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: Asp236, A: Phe238, A: Cys255, A: Hoh576, A: Hoh623, conact list: Atom Atom Distance (A) Hg CB A:Asp236 4.60 Hg OD2 A:Asp236 3.73 Hg OD1 A:Asp236 4.64 Hg CG A:Asp236 4.12 Hg CE2 A:Phe238 4.72 Hg CD1 A:Phe238 4.71 Hg CZ A:Phe238 3.58 Hg CE1 A:Phe238 3.56 Hg CB A:Cys255 3.19 Hg SG A:Cys255 2.46 Hg CA A:Cys255 4.66 Hg O A:Hoh576 3.62 Hg O A:Hoh623 3.71 interactive model: Mercury binding site 3 out of 4 in 2ga8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 2ga8. 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: Val101, A: Leu166, A: Cys170, A: Leu171, A: Phe174, conact list: Atom Atom Distance (A) Hg O A:Val101 3.85 Hg CB A:Val101 3.25 Hg CG2 A:Val101 3.94 Hg C A:Val101 4.30 Hg CG1 A:Val101 3.83 Hg CA A:Val101 4.25 Hg CB A:Leu166 4.46 Hg CD1 A:Leu166 3.81 Hg CD2 A:Leu166 4.78 Hg CG A:Leu166 4.57 Hg O A:Cys170 2.54 Hg N A:Cys170 4.91 Hg CB A:Cys170 3.36 Hg SG A:Cys170 2.64 Hg C A:Cys170 2.88 Hg CA A:Cys170 3.58 Hg N A:Leu171 3.47 Hg CB A:Leu171 4.92 Hg CD2 A:Leu171 4.30 Hg C A:Leu171 4.68 Hg CG A:Leu171 4.92 Hg CA A:Leu171 3.79 Hg N A:Phe174 4.95 Hg CD1 A:Phe174 3.12 Hg CZ A:Phe174 4.03 Hg CE1 A:Phe174 2.78 Hg CG A:Phe174 4.51 interactive model: Mercury binding site 4 out of 4 in 2ga8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 2ga8. 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: Pro33, A: Leu332, A: Bme501, A: Hoh586, A: Hoh651, A: Hoh662, A: Hoh680, conact list: Atom Atom Distance (A) Hg CB A:Pro33 3.89 Hg CG A:Pro33 3.79 Hg CD2 A:Leu332 3.61 Hg O1 A:Bme501 3.98 Hg S2 A:Bme501 1.80 Hg C2 A:Bme501 2.85 Hg C1 A:Bme501 3.33 Hg O A:Hoh586 4.89 Hg O A:Hoh651 4.50 Hg O A:Hoh662 2.59 Hg O A:Hoh680 3.44 interactive model: