Mercury in the structure of X-Ray Structure of Bovine SC0322,Ca(2+)-S100B (pdb 3lk1)

The binding sites of Mercury atom in the structure of X-Ray Structure of Bovine SC0322,Ca(2+)-S100B (pdb code 3lk1). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 3lk1 structure was solved by T.H.CHARPENTIER, D.J.WEBER, P.W.WILDER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.5-1.8 Space group C2221 a (A) 35.194 b (A) 88.792 c (A) 58.996 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.6 Rfree (%) 24.2 Mercury Binding Sites: Mercury binding site 1 out of 1 in 3lk1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 3lk1. 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: Cys84, A: His85, A: Emc92, A: Hoh126, A: Hoh127, conact list: Atom Atom Distance (A) Hg O A:Cys84 1.97 Hg CB A:Cys84 4.03 Hg SG A:Cys84 2.72 Hg C A:Cys84 3.17 Hg CA A:Cys84 4.16 Hg N A:His85 3.97 Hg HG A:Emc92 0.00 Hg C2 A:Emc92 3.21 Hg C1 A:Emc92 2.38 Hg O A:Hoh126 2.79 Hg O A:Hoh127 4.59 interactive model: