Zinc 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:

Mercury

(Hg)

1 atom

The binding sites of Zinc atom in the Carbonic Anhydrase II in Complex with Saccharin (pdb code 2q1b). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Carbonic Anhydrase II in Complex with Saccharin, PDB code: 2q1b:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Carbonic Anhydrase II in Complex with Saccharin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II in Complex with Saccharin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:13.0 occ:1.00 NE2 A:HIS96 2.0 11.4 1.0 NE2 A:HIS94 2.0 11.1 1.0 N9 A:LSA500 2.1 21.1 1.0 ND1 A:HIS119 2.1 12.5 1.0 C7 A:LSA500 3.0 35.0 1.0 CD2 A:HIS94 3.0 16.9 1.0 CE1 A:HIS96 3.0 11.2 1.0 CD2 A:HIS96 3.0 12.9 1.0 CE1 A:HIS119 3.0 13.2 1.0 CE1 A:HIS94 3.1 8.5 1.0 CG A:HIS119 3.1 11.9 1.0 O12 A:LSA500 3.1 20.9 1.0 S10 A:LSA500 3.1 19.1 1.0 O8 A:LSA500 3.4 24.8 1.0 CB A:HIS119 3.5 11.1 1.0 OG1 A:THR199 3.8 13.4 1.0 OE1 A:GLU106 4.0 12.4 1.0 O11 A:LSA500 4.1 20.5 1.0 ND1 A:HIS96 4.1 15.6 1.0 CG A:HIS94 4.2 9.0 1.0 ND1 A:HIS94 4.2 11.1 1.0 C1 A:LSA500 4.2 38.2 1.0 CG A:HIS96 4.2 10.6 1.0 NE2 A:HIS119 4.2 12.1 1.0 CD2 A:HIS119 4.2 9.6 1.0 C6 A:LSA500 4.3 41.3 1.0 O A:HOH755 4.5 22.7 1.0 CD A:GLU106 4.9 15.6 1.0 CA A:HIS119 5.0 10.5 1.0

Zinc binding site 2 out of 2 in the Carbonic Anhydrase II in Complex with Saccharin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Carbonic Anhydrase II in Complex with Saccharin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn430 b:10.3 occ:0.65 CE1 A:HIS64 1.1 0.0 0.3 ND1 A:HIS64 1.1 8.3 0.3 NE2 A:HIS64 2.0 15.8 0.3 CG A:HIS64 2.1 17.6 0.3 ND1 A:HIS64 2.3 17.0 0.7 CD2 A:HIS64 2.4 14.4 0.3 O A:HOH752 2.9 26.7 0.7 O A:ASN62 3.0 16.9 1.0 CE1 A:HIS64 3.3 25.3 0.7 CG A:HIS64 3.3 22.3 0.7 CB A:HIS64 3.3 17.0 0.3 O A:HOH709 3.4 34.2 1.0 CB A:HIS64 3.5 21.0 0.7 N A:HIS64 3.7 15.6 1.0 C A:GLY63 3.7 18.2 1.0 C A:ASN62 4.0 18.5 1.0 CA A:HIS64 4.1 17.2 0.3 CA A:GLY63 4.1 15.3 1.0 O A:GLY63 4.1 18.8 1.0 CA A:HIS64 4.2 16.7 0.7 CZ2 A:TRP5 4.2 15.9 1.0 OD1 A:ASN62 4.3 15.0 1.0 NE2 A:HIS64 4.4 16.2 0.7 CD2 A:HIS64 4.4 21.1 0.7 N A:GLY63 4.5 14.4 1.0 CE2 A:TRP5 4.6 17.0 1.0 CH2 A:TRP5 4.7 21.3 1.0 CG A:ASN62 4.7 18.4 1.0 O A:HOH731 4.9 23.2 1.0 CB A:ASN62 4.9 11.4 1.0 NE1 A:TRP5 5.0 16.9 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