Mercury in the structure of Crystal Structure of Uvrd-Dna-SO4 Complex (pdb 2is1)

The binding sites of Mercury atom in the structure of Crystal Structure of Uvrd-Dna-SO4 Complex (pdb code 2is1). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 2is1 structure was solved by W.YANG, J.Y.LEE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.8-2.9 Space group P21212 a (A) 152.451 b (A) 94.490 c (A) 136.443 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.6 Rfree (%) 29.5 Mercury Binding Sites: Mercury binding site 1 out of 5 in 2is1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 2is1. 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: Cys322, A: Ala323, A: Phe324, A: Glu616, A: Arg645, conact list: Atom Atom Distance (A) Hg O A:Cys322 3.47 Hg CB A:Cys322 3.49 Hg SG A:Cys322 2.59 Hg C A:Cys322 3.56 Hg CA A:Cys322 4.12 Hg O A:Ala323 3.52 Hg N A:Ala323 3.93 Hg C A:Ala323 3.78 Hg CA A:Ala323 4.21 Hg N A:Phe324 4.33 Hg CD1 A:Phe324 4.89 Hg CA A:Phe324 4.72 Hg OE1 A:Glu616 3.57 Hg CB A:Glu616 4.53 Hg CD A:Glu616 4.38 Hg CG A:Glu616 4.46 Hg CD A:Arg645 4.46 Hg CZ A:Arg645 4.53 Hg NE A:Arg645 4.96 Hg NH1 A:Arg645 3.33 interactive model: Mercury binding site 2 out of 5 in 2is1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 2is1. 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: Asn288, A: Ser291, A: Glu639, A: Cys640, A: Hoh706, conact list: Atom Atom Distance (A) Hg O A:Asn288 4.97 Hg CB A:Asn288 4.47 Hg OD1 A:Asn288 3.09 Hg CG A:Asn288 4.04 Hg CA A:Asn288 4.32 Hg CB A:Ser291 4.10 Hg OG A:Ser291 4.02 Hg O A:Glu639 4.39 Hg OE1 A:Glu639 4.11 Hg CB A:Glu639 4.41 Hg CD A:Glu639 4.96 Hg C A:Glu639 4.08 Hg CA A:Glu639 4.88 Hg N A:Cys640 3.64 Hg CB A:Cys640 3.30 Hg SG A:Cys640 2.42 Hg CA A:Cys640 3.52 Hg O A:Hoh706 3.81 interactive model: Mercury binding site 3 out of 5 in 2is1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 2is1. 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: Arg22, A: Glu50, A: Cys52, A: Ser56, A: Thr215, A: Asn216, conact list: Atom Atom Distance (A) Hg CD A:Arg22 4.22 Hg CZ A:Arg22 3.69 Hg NE A:Arg22 3.73 Hg NH2 A:Arg22 4.09 Hg NH1 A:Arg22 3.95 Hg O A:Glu50 4.65 Hg N A:Cys52 4.71 Hg CB A:Cys52 3.47 Hg SG A:Cys52 2.37 Hg CA A:Cys52 3.99 Hg OG A:Ser56 4.89 Hg OG1 A:Thr215 4.48 Hg ND2 A:Asn216 3.87 Hg OD1 A:Asn216 4.89 Hg CG A:Asn216 4.84 interactive model: Mercury binding site 4 out of 5 in 2is1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 2is1. 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: Cys322, B: Ala323, B: Phe324, B: Glu616, conact list: Atom Atom Distance (A) Hg O B:Cys322 2.93 Hg CB B:Cys322 3.37 Hg SG B:Cys322 2.70 Hg C B:Cys322 3.43 Hg CA B:Cys322 4.02 Hg O B:Ala323 3.65 Hg N B:Ala323 4.14 Hg C B:Ala323 3.90 Hg CA B:Ala323 4.41 Hg N B:Phe324 4.36 Hg CA B:Phe324 4.62 Hg CB B:Glu616 4.72 Hg OE2 B:Glu616 4.93 Hg CD B:Glu616 4.72 Hg CG B:Glu616 3.70 interactive model: Mercury binding site 5 out of 5 in 2is1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Mercury in the PDB 2is1. 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: Asn288, B: Ser291, B: Asp314, B: Glu639, B: Cys640, conact list: Atom Atom Distance (A) Hg O B:Asn288 4.78 Hg N B:Asn288 4.64 Hg CB B:Asn288 4.12 Hg ND2 B:Asn288 4.65 Hg C B:Asn288 4.87 Hg OD1 B:Asn288 2.41 Hg CG B:Asn288 3.53 Hg CA B:Asn288 3.90 Hg CB B:Ser291 4.77 Hg OG B:Ser291 3.83 Hg OD2 B:Asp314 4.93 Hg OD1 B:Asp314 4.00 Hg CG B:Asp314 4.90 Hg O B:Glu639 4.31 Hg CB B:Glu639 4.65 Hg C B:Glu639 4.16 Hg N B:Cys640 3.79 Hg CB B:Cys640 3.25 Hg SG B:Cys640 2.32 Hg C B:Cys640 4.92 Hg CA B:Cys640 3.49 interactive model: