Mercury in PDB 6sdh: Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm, PDB code: 6sdh was solved by S.Gloeckner, M.Haake, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.90 / 1.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.298, 41.739, 72.337, 90.00, 104.11, 90.00
R / Rfree (%)	13.1 / 14.8

The structure of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm (pdb code 6sdh). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm, PDB code: 6sdh:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg303 b:10.9 occ:0.62 HG A:BE7303 0.0 10.9 0.6 HG A:HG304 1.2 10.5 0.1 C5 A:BE7303 2.2 11.5 0.6 SG A:CYS206 2.3 12.5 0.8 HB3 A:CYS206 2.4 29.0 0.1 O A:GLN137 2.9 11.1 1.0 O A:HOH485 3.0 17.9 1.0 HA A:CYS206 3.1 9.9 0.8 CB A:CYS206 3.1 24.1 0.1 C4 A:BE7303 3.1 11.6 0.6 O A:GLU205 3.1 11.4 1.0 C6 A:BE7303 3.1 13.1 0.6 HA A:CYS206 3.2 21.0 0.1 CB A:CYS206 3.3 9.7 0.8 HA A:PRO138 3.4 14.3 1.0 C A:GLN137 3.4 11.0 1.0 C A:GLU205 3.4 9.5 1.0 CA A:CYS206 3.5 17.5 0.1 CA A:CYS206 3.5 8.3 0.8 HB3 A:CYS206 3.5 11.7 0.8 H A:GLN137 3.5 13.9 1.0 SG A:CYS206 3.6 27.1 0.1 N A:CYS206 3.6 13.7 0.1 N A:CYS206 3.7 8.7 0.8 N A:GLN137 3.7 11.6 1.0 O A:HOH507 3.8 17.6 1.0 N A:PRO138 3.9 11.4 1.0 HB2 A:CYS206 3.9 29.0 0.1 H A:GLU205 4.0 11.9 1.0 CA A:PRO138 4.1 11.9 1.0 CA A:GLN137 4.1 11.6 1.0 HB3 A:LEU204 4.1 14.4 1.0 O A:VAL135 4.1 14.2 1.0 C A:GLN136 4.2 12.4 1.0 HB2 A:CYS206 4.2 11.7 0.8 N A:GLU205 4.2 9.9 1.0 H A:CYS206 4.2 16.5 0.1 H A:CYS206 4.3 10.4 0.8 HA A:GLN136 4.3 15.3 1.0 CA A:GLU205 4.4 9.4 1.0 HA A:GLN137 4.4 13.9 1.0 C3 A:BE7303 4.4 12.2 0.6 C7 A:BE7303 4.4 12.7 0.6 C A:VAL135 4.5 11.8 1.0 HB2 A:GLU205 4.6 12.5 1.0 HD3 A:PRO138 4.7 15.9 1.0 HA A:VAL135 4.7 14.3 1.0 O A:GLN136 4.7 14.1 1.0 CA A:GLN136 4.7 12.7 1.0 N A:GLN136 4.9 12.5 1.0 O A:HOH550 4.9 31.7 1.0 CD A:PRO138 4.9 13.2 1.0 C A:LEU204 4.9 9.1 1.0 C2 A:BE7303 4.9 12.6 0.6 HB3 A:PRO138 4.9 17.5 1.0 C A:CYS206 5.0 8.8 0.8 C A:PRO138 5.0 11.3 1.0 C A:CYS206 5.0 13.6 0.1 HH22 A:ARG27 5.0 12.3 0.1 CB A:GLU205 5.0 10.4 1.0

Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg304 b:10.5 occ:0.15 HG A:BE7303 1.2 10.9 0.6 SG A:CYS206 1.4 12.5 0.8 HB3 A:CYS206 2.0 29.0 0.1 O A:HOH485 2.5 17.9 1.0 CB A:CYS206 2.7 24.1 0.1 SG A:CYS206 2.7 27.1 0.1 CB A:CYS206 2.8 9.7 0.8 HB3 A:CYS206 3.1 11.7 0.8 O A:VAL135 3.1 14.2 1.0 O A:GLN137 3.2 11.1 1.0 H A:GLN137 3.3 13.9 1.0 HB3 A:LEU204 3.3 14.4 1.0 HA A:CYS206 3.3 9.9 0.8 C5 A:BE7303 3.3 11.5 0.6 HB2 A:CYS206 3.5 29.0 0.1 CA A:CYS206 3.5 8.3 0.8 CA A:CYS206 3.5 17.5 0.1 HA A:CYS206 3.5 21.0 0.1 HB2 A:CYS206 3.5 11.7 0.8 C A:VAL135 3.6 11.8 1.0 N A:GLN137 3.6 11.6 1.0 HA A:VAL135 3.6 14.3 1.0 N A:CYS206 3.6 13.7 0.1 N A:CYS206 3.7 8.7 0.8 C A:GLU205 3.8 9.5 1.0 O A:GLU205 3.8 11.4 1.0 O A:HOH507 3.9 17.6 1.0 C A:GLN137 3.9 11.0 1.0 HA A:GLN136 3.9 15.3 1.0 H A:GLU205 4.0 11.9 1.0 H A:CYS206 4.0 16.5 0.1 C6 A:BE7303 4.1 13.1 0.6 C A:GLN136 4.1 12.4 1.0 N A:GLN136 4.1 12.5 1.0 H A:CYS206 4.2 10.4 0.8 N A:GLU205 4.2 9.9 1.0 CA A:VAL135 4.2 11.9 1.0 CB A:LEU204 4.2 12.0 1.0 CA A:GLN136 4.2 12.7 1.0 C4 A:BE7303 4.3 11.6 0.6 HA A:PRO138 4.3 14.3 1.0 HD13 A:LEU204 4.4 19.9 1.0 HB2 A:LEU204 4.4 14.4 1.0 CA A:GLN137 4.4 11.6 1.0 HB A:VAL135 4.5 15.9 1.0 C A:LEU204 4.5 9.1 1.0 CA A:GLU205 4.6 9.4 1.0 HD22 A:LEU204 4.6 20.5 1.0 O A:ALA134 4.6 11.6 1.0 N A:PRO138 4.7 11.4 1.0 H A:GLN136 4.8 15.0 1.0 HA A:GLN137 4.8 13.9 1.0 O A:GLN136 4.8 14.1 1.0 CA A:LEU204 4.9 10.2 1.0 C A:CYS206 4.9 13.6 0.1 C A:CYS206 4.9 8.8 0.8 CB A:VAL135 4.9 13.2 1.0 CA A:PRO138 5.0 11.9 1.0

S.Gloeckner, M.Haake, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 5 Mm To Be Published.