Mercury in PDB 2q1b: Carbonic Anhydrase II in Complex with Saccharin

All present enzymatic activity of Carbonic Anhydrase II in Complex with Saccharin:
4.2.1.1;

The structure of Carbonic Anhydrase II in Complex with Saccharin, PDB code: 2q1b was solved by G.Klebe, A.Heine, K.Koehler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.220, 41.610, 72.160, 90.00, 104.44, 90.00
R / Rfree (%)	14.7 / 21.8

The structure of Carbonic Anhydrase II in Complex with Saccharin also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Mercury atom in the Carbonic Anhydrase II in Complex with Saccharin (pdb code 2q1b). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Carbonic Anhydrase II in Complex with Saccharin, PDB code: 2q1b:

Mercury binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with Saccharin


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase II in Complex with Saccharin within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg450 b:28.6 occ:1.00 SG A:CYS206 1.9 22.8 1.0 C4 A:BEZ455 2.4 24.0 1.0 O A:GLN137 2.9 15.0 1.0 C3 A:BEZ455 3.1 11.1 1.0 CB A:CYS206 3.1 20.8 1.0 O A:GLU205 3.2 16.6 1.0 C A:GLN137 3.4 15.4 1.0 C A:GLU205 3.5 15.8 1.0 CA A:CYS206 3.5 15.1 1.0 C5 A:BEZ455 3.6 31.9 1.0 N A:GLN137 3.7 24.1 1.0 N A:CYS206 3.7 13.0 1.0 O A:VAL135 3.8 20.0 1.0 C A:GLN136 4.0 19.4 1.0 N A:PRO138 4.0 16.6 1.0 O A:HOH592 4.1 23.3 1.0 CA A:GLN137 4.1 17.5 1.0 CA A:PRO138 4.2 13.8 1.0 C A:VAL135 4.2 21.5 1.0 N A:GLU205 4.3 13.2 1.0 CA A:GLN136 4.4 13.6 1.0 CA A:GLU205 4.4 11.2 1.0 C2 A:BEZ455 4.5 33.0 1.0 O A:GLN136 4.5 17.2 1.0 N A:GLN136 4.6 15.7 1.0 C6 A:BEZ455 4.8 30.6 1.0 CB A:LEU204 4.8 15.4 1.0 C A:LEU204 4.8 16.3 1.0 CA A:VAL135 4.9 21.9 1.0 C A:CYS206 5.0 17.5 1.0

K.Kohler, A.Hillebrecht, J.Schulze Wischeler, A.Innocenti, A.Heine, C.T.Supuran, G.Klebe. Saccharin Inhibits Carbonic Anhydrases: Possible Explanation For Its Unpleasant Metallic Aftertaste. Angew.Chem.Int.Ed.Engl. V. 46 7697 2007.
ISSN: ISSN 1433-7851
PubMed: 17705204
DOI: 10.1002/ANIE.200701189