Mercury in the structure of N-Acetyl-B-D-Glucoasminidase (Gcna) From Stretococcus Gordonii (pdb 2epm)

The binding sites of Mercury atom in the structure of N-Acetyl-B-D-Glucoasminidase (Gcna) From Stretococcus Gordonii (pdb code 2epm). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 2epm structure was solved by D.B.LANGLEY, D.W.S.HARTY, J.M.GUSS, C.A.COLLYER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 14.9-2.0 Space group I222 a (A) 122.964 b (A) 124.746 c (A) 147.889 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.9 Rfree (%) 23.7 Mercury Binding Sites: Mercury binding site 1 out of 6 in 2epm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 2epm. 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: X: Phe333, X: Ala357, X: Asn358, X: Ala360, X: Cys361, X: Hg631, conact list: Atom Atom Distance (A) Hg CB X:Phe333 4.15 Hg CE2 X:Phe333 3.71 Hg CD1 X:Phe333 3.64 Hg CD2 X:Phe333 3.52 Hg CZ X:Phe333 3.87 Hg CE1 X:Phe333 3.83 Hg CG X:Phe333 3.50 Hg O X:Ala357 2.93 Hg C X:Ala357 3.74 Hg CB X:Ala357 4.05 Hg CA X:Ala357 3.99 Hg N X:Asn358 4.87 Hg O X:Ala360 4.84 Hg C X:Ala360 4.11 Hg CB X:Ala360 4.10 Hg CA X:Ala360 4.65 Hg N X:Cys361 3.32 Hg CB X:Cys361 3.33 Hg SG X:Cys361 2.02 Hg CA X:Cys361 3.61 Hg HG X:Hg631 3.48 interactive model: Mercury binding site 2 out of 6 in 2epm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 2epm. 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: X: Tyr84, X: Phe333, X: Ala357, X: Asn358, X: Cys361, X: Val369, X: Trp393, X: Hg630, conact list: Atom Atom Distance (A) Hg CE2 X:Tyr84 4.59 Hg CZ X:Tyr84 4.09 Hg CE1 X:Tyr84 4.72 Hg OH X:Tyr84 3.55 Hg CB X:Phe333 4.47 Hg CD1 X:Phe333 3.35 Hg CZ X:Phe333 4.87 Hg CE1 X:Phe333 3.83 Hg CG X:Phe333 4.14 Hg O X:Ala357 3.29 Hg C X:Ala357 3.64 Hg CB X:Ala357 4.35 Hg CA X:Ala357 4.60 Hg O X:Asn358 4.73 Hg N X:Asn358 3.83 Hg CB X:Asn358 4.84 Hg C X:Asn358 4.69 Hg CA X:Asn358 3.80 Hg N X:Cys361 4.40 Hg CB X:Cys361 2.74 Hg SG X:Cys361 2.20 Hg CA X:Cys361 4.13 Hg CB X:Val369 4.77 Hg CG2 X:Val369 3.63 Hg CG1 X:Val369 4.60 Hg CE3 X:Trp393 4.64 Hg CZ3 X:Trp393 3.28 Hg CZ2 X:Trp393 4.10 Hg CH2 X:Trp393 2.91 Hg HG X:Hg630 3.48 interactive model: Mercury binding site 3 out of 6 in 2epm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 2epm. 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: X: Met90, X: Glu120, X: Cys164, X: Asn219, X: Gln265, X: Ile370, X: Hoh769, X: Hoh874, conact list: Atom Atom Distance (A) Hg CB X:Met90 4.72 Hg CG X:Met90 4.16 Hg SD X:Met90 3.49 Hg OE1 X:Glu120 3.28 Hg CD X:Glu120 4.48 Hg CB X:Cys164 3.26 Hg SG X:Cys164 2.33 Hg CA X:Cys164 4.54 Hg CB X:Asn219 3.78 Hg ND2 X:Asn219 3.11 Hg OD1 X:Asn219 4.42 Hg CG X:Asn219 3.59 Hg OE1 X:Gln265 4.73 Hg CD1 X:Ile370 4.94 Hg CG2 X:Ile370 4.90 Hg O X:Hoh769 2.78 Hg O X:Hoh874 4.50 interactive model: Mercury binding site 4 out of 6 in 2epm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 2epm. 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: X: Leu244, X: Cys247, X: Gln248, X: Glu251, X: Tyr294, X: Leu298, conact list: Atom Atom Distance (A) Hg O X:Leu244 4.80 Hg O X:Cys247 3.47 Hg CB X:Cys247 3.38 Hg CB X:Cys247 3.36 Hg SG X:Cys247 2.36 Hg SG X:Cys247 4.65 Hg C X:Cys247 3.44 Hg CA X:Cys247 4.00 Hg CA X:Cys247 4.02 Hg N X:Gln248 3.67 Hg CA X:Gln248 4.10 Hg OE1 X:Glu251 4.49 Hg CB X:Tyr294 3.54 Hg CE2 X:Tyr294 4.02 Hg CD1 X:Tyr294 3.20 Hg CD2 X:Tyr294 3.55 Hg CZ X:Tyr294 4.09 Hg CE1 X:Tyr294 3.72 Hg CG X:Tyr294 3.13 Hg CA X:Tyr294 4.89 Hg CD1 X:Leu298 4.81 interactive model: Mercury binding site 5 out of 6 in 2epm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Mercury in the PDB 2epm. 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: X: Asp586, X: Cys587, X: Glu589, X: Hoh906, conact list: Atom Atom Distance (A) Hg O X:Asp586 4.85 Hg N X:Asp586 4.97 Hg CB X:Asp586 4.35 Hg C X:Asp586 4.27 Hg CA X:Asp586 4.78 Hg O X:Cys587 4.35 Hg N X:Cys587 3.67 Hg CB X:Cys587 3.14 Hg SG X:Cys587 1.92 Hg C X:Cys587 4.38 Hg CA X:Cys587 3.90 Hg OE1 X:Glu589 4.68 Hg OE2 X:Glu589 3.85 Hg CD X:Glu589 4.15 Hg CG X:Glu589 4.51 Hg O X:Hoh906 4.17 interactive model: Mercury binding site 6 out of 6 in 2epm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Mercury in the PDB 2epm. 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: X: Ser243, X: Met246, X: Cys247, X: Met270, X: Phe271, X: Leu295, conact list: Atom Atom Distance (A) Hg O X:Ser243 4.14 Hg C X:Ser243 4.96 Hg CA X:Ser243 4.91 Hg O X:Met246 4.87 Hg CB X:Met246 3.88 Hg C X:Met246 4.51 Hg CG X:Met246 4.86 Hg CA X:Met246 4.86 Hg N X:Cys247 4.37 Hg CB X:Cys247 4.95 Hg CB X:Cys247 4.89 Hg SG X:Cys247 3.72 Hg CA X:Cys247 4.76 Hg CA X:Cys247 4.76 Hg O X:Met270 3.45 Hg CB X:Met270 3.26 Hg CB X:Met270 3.21 Hg CE X:Met270 1.89 Hg CE X:Met270 3.63 Hg C X:Met270 3.78 Hg CG X:Met270 2.39 Hg CG X:Met270 1.79 Hg SD X:Met270 2.77 Hg SD X:Met270 2.17 Hg CA X:Met270 3.91 Hg CA X:Met270 3.89 Hg N X:Phe271 4.65 Hg CD1 X:Phe271 4.77 Hg CZ X:Phe271 4.83 Hg CE1 X:Phe271 4.63 Hg CD2 X:Leu295 2.92 Hg CG X:Leu295 4.34 interactive model: