Mercury in the structure of Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii (pdb 3k4o)

The binding sites of Mercury atom in the structure of Crystal Structure of Isopentenyl Phosphate Kinase From Methanocaldococcus Jannaschii (pdb code 3k4o). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 3k4o structure was solved by N.DELLAS, J.P.NOEL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.0 Space group P21212 a (A) 76.200 b (A) 99.700 c (A) 87.700 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.3 Rfree (%) 24.1 Mercury Binding Sites: Mercury binding site 1 out of 2 in 3k4o Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 3k4o. 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: Ala167, A: Asn168, A: Lys171, A: Ala172, A: Asn228, A: Lys229, A: Cys230, conact list: Atom Atom Distance (A) Hg O A:Ala167 3.94 Hg C A:Ala167 4.29 Hg CB A:Ala167 4.54 Hg CA A:Ala167 4.95 Hg N A:Asn168 4.72 Hg CA A:Asn168 4.84 Hg CA A:Lys171 4.96 Hg O A:Ala172 3.72 Hg N A:Ala172 4.57 Hg C A:Ala172 4.79 Hg O A:Asn228 3.12 Hg CB A:Asn228 4.32 Hg C A:Asn228 4.08 Hg CA A:Asn228 4.86 Hg O A:Lys229 3.64 Hg N A:Lys229 4.89 Hg C A:Lys229 3.89 Hg CA A:Lys229 4.97 Hg N A:Cys230 3.82 Hg CB A:Cys230 3.22 Hg SG A:Cys230 2.42 Hg C A:Cys230 4.89 Hg CA A:Cys230 3.46 interactive model: Mercury binding site 2 out of 2 in 3k4o Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 3k4o. 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: Ala167, B: Asn168, B: Ala172, B: Asn228, B: Lys229, B: Cys230, B: Arg231, conact list: Atom Atom Distance (A) Hg O B:Ala167 4.00 Hg C B:Ala167 4.10 Hg CB B:Ala167 4.20 Hg CA B:Ala167 4.78 Hg N B:Asn168 4.23 Hg CB B:Asn168 4.81 Hg CA B:Asn168 4.30 Hg O B:Ala172 4.78 Hg O B:Asn228 3.23 Hg CB B:Asn228 4.37 Hg C B:Asn228 4.24 Hg CA B:Asn228 4.98 Hg O B:Lys229 4.21 Hg C B:Lys229 4.15 Hg N B:Cys230 3.72 Hg CB B:Cys230 3.34 Hg SG B:Cys230 2.64 Hg C B:Cys230 4.60 Hg CA B:Cys230 3.26 Hg N B:Arg231 4.92 interactive model: