Zinc in PDB 2q38: Carbonic Anhydrase II in Complex with Saccharin at 1.95 Angstrom

All present enzymatic activity of Carbonic Anhydrase II in Complex with Saccharin at 1.95 Angstrom:
4.2.1.1;

The structure of Carbonic Anhydrase II in Complex with Saccharin at 1.95 Angstrom, PDB code: 2q38 was solved by J.Schulze Wischeler, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.200, 41.400, 72.200, 90.00, 104.60, 90.00
R / Rfree (%)	18.4 / 26

The structure of Carbonic Anhydrase II in Complex with Saccharin at 1.95 Angstrom 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 at 1.95 Angstrom (pdb code 2q38). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Carbonic Anhydrase II in Complex with Saccharin at 1.95 Angstrom, PDB code: 2q38:

Zinc binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with Saccharin at 1.95 Angstrom


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 at 1.95 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:10.4 occ:1.00 NE2 A:HIS94 1.8 8.4 1.0 NE2 A:HIS96 2.0 10.4 1.0 N9 A:LSA503 2.0 10.7 1.0 ND1 A:HIS119 2.1 7.4 1.0 CE1 A:HIS94 2.7 8.4 1.0 CD2 A:HIS94 2.8 8.3 1.0 C7 A:LSA503 2.9 10.6 1.0 CE1 A:HIS96 3.0 10.4 1.0 CD2 A:HIS96 3.0 10.2 1.0 CE1 A:HIS119 3.0 7.5 1.0 O8 A:LSA503 3.1 9.9 1.0 S10 A:LSA503 3.1 10.6 1.0 CG A:HIS119 3.1 7.3 1.0 O11 A:LSA503 3.2 10.8 1.0 CB A:HIS119 3.5 7.3 1.0 OG1 A:THR199 3.5 8.7 1.0 ND1 A:HIS94 3.8 8.6 1.0 CG A:HIS94 3.9 8.3 1.0 OE1 A:GLU106 4.0 9.1 1.0 O12 A:LSA503 4.0 10.9 1.0 C1 A:LSA503 4.1 10.5 1.0 ND1 A:HIS96 4.1 10.3 1.0 CG A:HIS96 4.2 10.0 1.0 NE2 A:HIS119 4.2 7.4 1.0 CD2 A:HIS119 4.2 7.4 1.0 C6 A:LSA503 4.2 10.5 1.0 O A:HOH769 4.3 23.5 1.0 CB A:THR199 4.9 8.3 1.0 CD A:GLU106 5.0 8.7 1.0 CA A:HIS119 5.0 7.8 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