Mercury in the structure of Crystal Structure of RTT109-Ac-Coa Complex (pdb 3qm0)

The binding sites of Mercury atom in the structure of Crystal Structure of RTT109-Ac-Coa Complex (pdb code 3qm0). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 3qm0 structure was solved by Y.TANG, R.MARMORSTEIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-3.1 Space group F432 a (A) 233.791 b (A) 233.791 c (A) 233.791 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 25.8 Mercury Binding Sites: Mercury binding site 1 out of 2 in 3qm0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 3qm0. 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: Gly92, A: Tyr93, A: Cys94, A: Asn95, A: Thr96, A: Arg97, conact list: Atom Atom Distance (A) Hg C A:Gly92 4.81 Hg CA A:Gly92 4.72 Hg N A:Tyr93 4.60 Hg C A:Tyr93 4.89 Hg O A:Cys94 2.35 Hg N A:Cys94 3.69 Hg CB A:Cys94 3.66 Hg SG A:Cys94 2.39 Hg C A:Cys94 3.39 Hg CA A:Cys94 3.81 Hg N A:Asn95 4.59 Hg C A:Asn95 4.98 Hg O A:Thr96 2.97 Hg N A:Thr96 4.56 Hg C A:Thr96 4.14 Hg N A:Arg97 4.99 Hg CA A:Arg97 4.95 interactive model: Mercury binding site 2 out of 2 in 3qm0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 3qm0. 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: Glu109, A: Glu232, A: Cys233, conact list: Atom Atom Distance (A) Hg OE1 A:Glu109 2.74 Hg OE2 A:Glu109 4.52 Hg CD A:Glu109 3.80 Hg CG A:Glu109 4.68 Hg O A:Glu232 2.77 Hg CB A:Glu232 4.94 Hg C A:Glu232 3.81 Hg N A:Cys233 4.32 Hg CB A:Cys233 3.69 Hg SG A:Cys233 2.40 Hg CA A:Cys233 3.91 interactive model: