Mercury in the structure of Metallo-Beta-Lactamase (Zn, Hg-Bound Form) (pdb 3znb)

The binding sites of Mercury atom in the structure of Metallo-Beta-Lactamase (Zn, Hg-Bound Form) (pdb code 3znb). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 3znb structure was solved by N.O.CONCHA, O.HERZBERG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.7 Space group P43212 a (A) 78.200 b (A) 78.200 c (A) 140.600 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 26.8 Mercury Binding Sites: Mercury binding site 1 out of 2 in 3znb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 3znb. 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: Asp69, A: Asn98, A: His99, A: Asp103, A: Cys104, A: Cys181, A: Zn1, A: Na3, A: Hoh258, A: Hoh262, conact list: Atom Atom Distance (A) Hg OD2 A:Asp69 2.91 Hg OD1 A:Asp69 4.58 Hg CG A:Asp69 4.09 Hg CB A:Asn98 4.06 Hg OD1 A:Asn98 4.34 Hg CG A:Asn98 4.56 Hg NE2 A:His99 4.15 Hg ND1 A:His99 4.01 Hg CE1 A:His99 3.46 Hg CG A:His99 4.94 Hg O A:Asp103 3.68 Hg CB A:Asp103 4.78 Hg OD2 A:Asp103 3.77 Hg C A:Asp103 4.05 Hg OD1 A:Asp103 3.95 Hg CG A:Asp103 3.92 Hg CA A:Asp103 4.96 Hg N A:Cys104 4.15 Hg CB A:Cys104 3.73 Hg SG A:Cys104 2.31 Hg CA A:Cys104 4.04 Hg N A:Cys181 4.79 Hg CB A:Cys181 3.85 Hg SG A:Cys181 2.29 Hg CA A:Cys181 4.97 Hg ZN A:Zn1 4.78 Hg NA A:Na3 4.87 Hg O A:Hoh258 3.48 Hg O A:Hoh262 3.06 interactive model: Mercury binding site 2 out of 2 in 3znb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 3znb. 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: Asp69, B: Asn98, B: His99, B: Asp103, B: Cys104, B: Cys181, B: Zn1, B: Na3, B: Hoh259, conact list: Atom Atom Distance (A) Hg OD2 B:Asp69 2.70 Hg OD1 B:Asp69 4.20 Hg CG B:Asp69 3.82 Hg CB B:Asn98 3.85 Hg OD1 B:Asn98 4.30 Hg CG B:Asn98 4.39 Hg NE2 B:His99 4.36 Hg ND1 B:His99 3.96 Hg CE1 B:His99 3.60 Hg CG B:His99 4.90 Hg O B:Asp103 3.59 Hg CB B:Asp103 4.81 Hg OD2 B:Asp103 4.08 Hg C B:Asp103 3.89 Hg OD1 B:Asp103 4.09 Hg CG B:Asp103 4.08 Hg CA B:Asp103 4.88 Hg N B:Cys104 3.95 Hg CB B:Cys104 3.48 Hg SG B:Cys104 2.19 Hg CA B:Cys104 3.78 Hg N B:Cys181 4.87 Hg CB B:Cys181 4.05 Hg SG B:Cys181 2.46 Hg ZN B:Zn1 4.88 Hg NA B:Na3 4.31 Hg O B:Hoh259 3.04 interactive model: