Mercury in the structure of Characterization Of the Twinning Structure Of MJ1267, An Atp-Binding Cassette of An Abc Transporter (pdb 1g9x)

The binding sites of Mercury atom in the structure of Characterization Of the Twinning Structure Of MJ1267, An Atp-Binding Cassette of An Abc Transporter (pdb code 1g9x). This binding sites where shown with 5.0 Angstroms radius around Mercury atom. The 1g9x structure was solved by Y.-R.YUAN, J.F.HUNT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 14.7-2.6 Space group P31 a (A) 117.310 b (A) 117.310 c (A) 42.190 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 15.3 Rfree (%) 27.9 Mercury Binding Sites: Mercury binding site 1 out of 3 in 1g9x Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1g9x. 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: Thr4, A: Met5, A: Glu6, A: Ser29, A: Cys31, A: Asp34, A: Arg236, A: Mmc302, conact list: Atom Atom Distance (A) Hg O A:Thr4 3.51 Hg CG2 A:Thr4 4.42 Hg C A:Thr4 4.62 Hg O A:Met5 4.22 Hg C A:Met5 4.60 Hg N A:Glu6 4.85 Hg CA A:Glu6 4.66 Hg O A:Ser29 4.70 Hg OG A:Ser29 4.55 Hg N A:Cys31 4.69 Hg CB A:Cys31 2.81 Hg SG A:Cys31 2.73 Hg C A:Cys31 4.82 Hg CA A:Cys31 4.24 Hg OD2 A:Asp34 4.62 Hg OD1 A:Asp34 4.97 Hg CG A:Asp34 4.89 Hg CZ A:Arg236 4.99 Hg NH2 A:Arg236 3.91 Hg HG A:Mmc302 0.00 Hg C A:Mmc302 2.74 interactive model: Mercury binding site 2 out of 3 in 1g9x Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1g9x. 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: Thr1004, B: Cys1031, B: Lys1032, B: Asp1034, B: Arg1236, B: Mmc1302, B: Hoh3092, conact list: Atom Atom Distance (A) Hg O B:Thr1004 4.92 Hg CB B:Thr1004 4.58 Hg CB B:Cys1031 3.19 Hg SG B:Cys1031 2.85 Hg CA B:Cys1031 4.67 Hg O B:Lys1032 4.41 Hg N B:Lys1032 4.84 Hg CB B:Asp1034 4.40 Hg OD2 B:Asp1034 3.99 Hg OD1 B:Asp1034 4.50 Hg CG B:Asp1034 4.10 Hg CZ B:Arg1236 4.22 Hg NE B:Arg1236 4.83 Hg NH2 B:Arg1236 3.24 Hg NH1 B:Arg1236 5.00 Hg HG B:Mmc1302 0.00 Hg C B:Mmc1302 2.70 Hg O B:Hoh3092 4.08 interactive model: Mercury binding site 3 out of 3 in 1g9x Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 1g9x. 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: C: Thr2004, C: Met2005, C: Glu2006, C: Val2030, C: Cys2031, C: Lys2032, C: Asp2034, C: Mmc2302, conact list: Atom Atom Distance (A) Hg CB C:Thr2004 4.32 Hg CG2 C:Thr2004 4.03 Hg C C:Thr2004 4.91 Hg O C:Met2005 3.75 Hg N C:Met2005 4.48 Hg C C:Met2005 3.83 Hg CA C:Met2005 4.66 Hg N C:Glu2006 3.83 Hg OE1 C:Glu2006 4.55 Hg CB C:Glu2006 4.37 Hg C C:Glu2006 4.98 Hg CA C:Glu2006 3.77 Hg O C:Val2030 4.79 Hg O C:Cys2031 4.60 Hg N C:Cys2031 4.45 Hg CB C:Cys2031 2.66 Hg SG C:Cys2031 2.76 Hg C C:Cys2031 3.90 Hg CA C:Cys2031 3.21 Hg N C:Lys2032 3.98 Hg OD1 C:Asp2034 4.97 Hg HG C:Mmc2302 0.00 Hg C C:Mmc2302 2.75 interactive model: