Mercury in the structure of B-Glucosidase From Streptomyces Sp (pdb 1gon)

The binding sites of Mercury atom in the structure of B-Glucosidase From Streptomyces Sp (pdb code 1gon). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1gon structure was solved by A.GUASCH, J.A.PEREZ-PONS, M.VALLMITJANA, E.QUEROL, M.COLL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-2.2 Space group I222 a (A) 96.312 b (A) 111.171 c (A) 185.246 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.84 Rfree (%) 22.64 Mercury Binding Sites: Mercury binding site 1 out of 6 in 1gon Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1gon. 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: Trp134, A: Glu178, A: Trp180, A: Cys181, A: Leu185, A: His192, A: Asn235, A: Hoh2032, A: Hoh2069, A: Hoh2070, A: Hoh2118, A: Hoh2132, conact list: Atom Atom Distance (A) Hg CZ2 A:Trp134 4.69 Hg CH2 A:Trp134 4.32 Hg OE1 A:Glu178 4.32 Hg CE3 A:Trp180 4.79 Hg CZ3 A:Trp180 4.75 Hg CB A:Cys181 3.29 Hg SG A:Cys181 2.36 Hg CA A:Cys181 4.32 Hg CD1 A:Leu185 3.50 Hg CG A:Leu185 4.66 Hg ND1 A:His192 4.89 Hg CE1 A:His192 4.27 Hg ND2 A:Asn235 4.86 Hg O A:Hoh2032 2.53 Hg O A:Hoh2069 4.98 Hg O A:Hoh2070 3.12 Hg O A:Hoh2118 4.70 Hg O A:Hoh2132 3.27 interactive model: Mercury binding site 2 out of 6 in 1gon Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1gon. 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: Trp180, A: His237, A: Trp336, A: Hoh2132, conact list: Atom Atom Distance (A) Hg CD2 A:Trp180 4.66 Hg CE3 A:Trp180 4.01 Hg CZ3 A:Trp180 3.31 Hg CZ2 A:Trp180 4.14 Hg CE2 A:Trp180 4.69 Hg CH2 A:Trp180 3.40 Hg NE2 A:His237 2.15 Hg ND1 A:His237 4.27 Hg CD2 A:His237 3.06 Hg CE1 A:His237 3.19 Hg CG A:His237 4.24 Hg CZ2 A:Trp336 3.75 Hg CE2 A:Trp336 4.94 Hg CH2 A:Trp336 3.98 Hg O A:Hoh2132 3.01 interactive model: Mercury binding site 3 out of 6 in 1gon Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 1gon. 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: Arg221, A: Leu224, A: Ala228, A: Gln229, A: Cys230, A: Asp302, A: Hoh2129, A: Hoh2170, conact list: Atom Atom Distance (A) Hg N A:Arg221 4.78 Hg CD A:Arg221 4.62 Hg CG A:Arg221 4.43 Hg CA A:Arg221 4.65 Hg CD1 A:Leu224 4.97 Hg O A:Ala228 3.50 Hg C A:Ala228 4.12 Hg CB A:Ala228 4.83 Hg O A:Gln229 4.75 Hg N A:Gln229 4.50 Hg C A:Gln229 3.99 Hg CA A:Gln229 4.33 Hg N A:Cys230 3.37 Hg CB A:Cys230 3.02 Hg SG A:Cys230 2.32 Hg CA A:Cys230 3.79 Hg OD1 A:Asp302 3.58 Hg CG A:Asp302 4.69 Hg O A:Hoh2129 3.60 Hg O A:Hoh2170 3.38 interactive model: Mercury binding site 4 out of 6 in 1gon Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 1gon. 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: B: Trp134, B: Glu178, B: Trp180, B: Cys181, B: Leu185, B: His192, B: Asn235, B: Hoh2139, B: Hoh2154, conact list: Atom Atom Distance (A) Hg CZ2 B:Trp134 4.66 Hg CH2 B:Trp134 4.26 Hg OE2 B:Glu178 4.04 Hg CE3 B:Trp180 4.94 Hg CZ3 B:Trp180 4.92 Hg CB B:Cys181 3.37 Hg SG B:Cys181 2.45 Hg CA B:Cys181 4.40 Hg CD1 B:Leu185 3.70 Hg CG B:Leu185 4.83 Hg ND1 B:His192 4.90 Hg CE1 B:His192 4.28 Hg ND2 B:Asn235 4.66 Hg O B:Hoh2139 4.39 Hg O B:Hoh2154 3.21 interactive model: Mercury binding site 5 out of 6 in 1gon Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Mercury in the PDB 1gon. 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: B: Trp180, B: His237, B: Trp336, B: Hoh2065, B: Hoh2154, B: Hoh2155, conact list: Atom Atom Distance (A) Hg CD2 B:Trp180 4.76 Hg CE3 B:Trp180 4.10 Hg CZ3 B:Trp180 3.39 Hg CZ2 B:Trp180 4.22 Hg CE2 B:Trp180 4.78 Hg CH2 B:Trp180 3.47 Hg NE2 B:His237 2.36 Hg ND1 B:His237 4.48 Hg CD2 B:His237 3.19 Hg CE1 B:His237 3.43 Hg CG B:His237 4.40 Hg CZ2 B:Trp336 3.83 Hg CE2 B:Trp336 4.94 Hg CH2 B:Trp336 4.18 Hg O B:Hoh2065 3.72 Hg O B:Hoh2154 3.04 Hg O B:Hoh2155 3.06 interactive model: Mercury binding site 6 out of 6 in 1gon Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Mercury in the PDB 1gon. 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: B: Arg221, B: Ala228, B: Gln229, B: Cys230, B: Asp302, conact list: Atom Atom Distance (A) Hg N B:Arg221 4.92 Hg CB B:Arg221 4.99 Hg CZ B:Arg221 4.73 Hg CG B:Arg221 4.09 Hg NE B:Arg221 4.93 Hg NH1 B:Arg221 4.70 Hg CA B:Arg221 4.67 Hg O B:Ala228 3.42 Hg C B:Ala228 3.99 Hg CB B:Ala228 4.63 Hg CA B:Ala228 4.92 Hg O B:Gln229 4.86 Hg N B:Gln229 4.37 Hg C B:Gln229 3.98 Hg CA B:Gln229 4.22 Hg N B:Cys230 3.33 Hg CB B:Cys230 3.14 Hg SG B:Cys230 2.31 Hg CA B:Cys230 3.84 Hg OD2 B:Asp302 4.77 Hg OD1 B:Asp302 3.16 Hg CG B:Asp302 4.29 interactive model: