Mercury in the structure of Complex Between Human T-Cell Receptor, Viral Peptide (Tax), and Hla-A 0201 (pdb 1ao7)

The binding sites of Mercury atom in the structure of Complex Between Human T-Cell Receptor, Viral Peptide (Tax), and Hla-A 0201 (pdb code 1ao7). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1ao7 structure was solved by D.N.GARBOCZI, P.GHOSH, U.UTZ, Q.R.FAN, W.E.BIDDISON, D.C.WILEY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 6.0-2.6 Space group C121 a (A) 229.300 b (A) 49.500 c (A) 96.000 alpha (°) 90.00 beta (°) 89.60 gamma (°) 90.00 Rfactor (%) 24.5 Rfree (%) 32 Mercury Binding Sites: Mercury binding site 1 out of 2 in 1ao7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1ao7. 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: Glu50, B: His51, B: Leu65, B: Tyr66, B: Cys67, B: Emc100, conact list: Atom Atom Distance (A) Hg O B:Glu50 3.51 Hg OE1 B:Glu50 4.91 Hg CB B:Glu50 4.03 Hg C B:Glu50 4.06 Hg CA B:Glu50 4.65 Hg N B:His51 4.76 Hg CA B:His51 4.95 Hg O B:Leu65 4.46 Hg CB B:Leu65 4.96 Hg CD1 B:Leu65 4.95 Hg CD2 B:Leu65 4.15 Hg C B:Leu65 4.71 Hg CG B:Leu65 4.04 Hg O B:Tyr66 4.78 Hg N B:Tyr66 4.81 Hg C B:Tyr66 4.25 Hg CA B:Tyr66 4.62 Hg O B:Cys67 4.98 Hg N B:Cys67 3.87 Hg CB B:Cys67 3.52 Hg SG B:Cys67 2.97 Hg C B:Cys67 4.95 Hg CA B:Cys67 4.25 Hg HG B:Emc100 0.00 Hg C2 B:Emc100 2.72 Hg C1 B:Emc100 1.97 interactive model: Mercury binding site 2 out of 2 in 1ao7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1ao7. 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: Leu87, B: Cys91, B: Emc101, conact list: Atom Atom Distance (A) Hg CD2 B:Leu87 4.65 Hg CB B:Cys91 3.33 Hg SG B:Cys91 2.80 Hg C B:Cys91 4.94 Hg CA B:Cys91 4.07 Hg HG B:Emc101 0.00 Hg C2 B:Emc101 2.84 Hg C1 B:Emc101 2.02 interactive model: