Mercury in the structure of Ribonucleotide Reductase R2 From Escherichia Coli in Space Group P6(1)22 (pdb 2alx)

The binding sites of Mercury atom in the structure of Ribonucleotide Reductase R2 From Escherichia Coli in Space Group P6(1)22 (pdb code 2alx). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 2alx structure was solved by M.SOMMERHALTER, L.SALEH, J.M.BOLLINGER JR., A.C.ROSENZWEIG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.3-2.6 Space group P6122 a (A) 92.940 b (A) 92.940 c (A) 200.930 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 22.7 Rfree (%) 27.6 Mercury Binding Sites: Mercury binding site 1 out of 4 in 2alx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 2alx. 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: Ile153, A: Tyr156, A: Tyr157, A: Cys196, A: Leu197, A: Ser199, A: Val200, conact list: Atom Atom Distance (A) Hg O A:Ile153 4.70 Hg O A:Tyr156 4.54 Hg CB A:Tyr156 3.61 Hg C A:Tyr156 4.16 Hg CG A:Tyr156 4.63 Hg CA A:Tyr156 4.56 Hg N A:Tyr157 4.01 Hg CB A:Tyr157 4.59 Hg CE2 A:Tyr157 4.01 Hg CD1 A:Tyr157 3.52 Hg CD2 A:Tyr157 3.98 Hg CZ A:Tyr157 3.79 Hg CE1 A:Tyr157 3.54 Hg CG A:Tyr157 3.76 Hg OH A:Tyr157 4.53 Hg CA A:Tyr157 4.36 Hg O A:Cys196 3.46 Hg N A:Cys196 4.39 Hg CB A:Cys196 2.84 Hg SG A:Cys196 2.61 Hg C A:Cys196 3.59 Hg CA A:Cys196 3.02 Hg N A:Leu197 4.77 Hg CB A:Ser199 4.36 Hg OG A:Ser199 4.87 Hg N A:Val200 4.61 Hg CB A:Val200 4.82 Hg CG2 A:Val200 3.48 interactive model: Mercury binding site 2 out of 4 in 2alx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 2alx. 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: Asn76, A: Val210, A: Ser211, A: Cys214, A: Trp286, A: Leu290, A: Leu304, conact list: Atom Atom Distance (A) Hg CB A:Asn76 4.52 Hg ND2 A:Asn76 4.25 Hg OD1 A:Asn76 2.74 Hg CG A:Asn76 3.60 Hg O A:Val210 3.34 Hg C A:Val210 4.19 Hg CG1 A:Val210 4.27 Hg O A:Ser211 4.92 Hg N A:Ser211 4.61 Hg C A:Ser211 4.97 Hg CA A:Ser211 4.24 Hg O A:Cys214 4.45 Hg N A:Cys214 4.32 Hg CB A:Cys214 2.44 Hg SG A:Cys214 2.54 Hg C A:Cys214 4.52 Hg CA A:Cys214 3.88 Hg CD1 A:Trp286 4.56 Hg NE1 A:Trp286 4.48 Hg CD2 A:Leu290 3.18 Hg CG A:Leu290 4.66 Hg CD1 A:Leu304 3.92 interactive model: Mercury binding site 3 out of 4 in 2alx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 2alx. 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: Asp302, A: Cys305, A: Gln306, A: Glu309, A: Arg328, conact list: Atom Atom Distance (A) Hg O A:Asp302 4.92 Hg O A:Cys305 3.88 Hg CB A:Cys305 4.09 Hg SG A:Cys305 3.14 Hg C A:Cys305 3.85 Hg CA A:Cys305 4.63 Hg N A:Gln306 3.79 Hg CB A:Gln306 4.29 Hg CG A:Gln306 4.84 Hg CA A:Gln306 3.80 Hg OE1 A:Glu309 4.17 Hg OE2 A:Glu309 2.76 Hg CD A:Glu309 3.59 Hg CG A:Glu309 4.51 Hg NH1 A:Arg328 4.90 interactive model: Mercury binding site 4 out of 4 in 2alx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 2alx. 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: Tyr194, A: Met198, A: Ala265, A: Cys268, A: Lys269, A: Cys272, A: Leu321, conact list: Atom Atom Distance (A) Hg CE2 A:Tyr194 3.63 Hg CD2 A:Tyr194 4.85 Hg CZ A:Tyr194 4.00 Hg OH A:Tyr194 3.38 Hg CE A:Met198 3.08 Hg SD A:Met198 4.90 Hg O A:Ala265 4.19 Hg O A:Cys268 3.88 Hg C A:Cys268 4.85 Hg O A:Lys269 4.70 Hg CD A:Lys269 4.73 Hg CA A:Lys269 4.59 Hg N A:Cys272 4.98 Hg CB A:Cys272 2.77 Hg SG A:Cys272 2.91 Hg C A:Cys272 4.87 Hg CA A:Cys272 4.28 Hg CD1 A:Leu321 4.99 Hg CD2 A:Leu321 4.57 interactive model: