Zinc in PDB 8fqx: Carbonic Anhydrase II in Complex with the Alkyl Ureas 3G

All present enzymatic activity of Carbonic Anhydrase II in Complex with the Alkyl Ureas 3G:
4.2.1.1;

The structure of Carbonic Anhydrase II in Complex with the Alkyl Ureas 3G, PDB code: 8fqx was solved by J.E.Combs, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.10 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.002, 40.842, 71.112, 90, 104.19, 90
R / Rfree (%)	17.1 / 19.1

The binding sites of Zinc atom in the Carbonic Anhydrase II in Complex with the Alkyl Ureas 3G (pdb code 8fqx). 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 the Alkyl Ureas 3G, PDB code: 8fqx:

Zinc binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with the Alkyl Ureas 3G


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 the Alkyl Ureas 3G within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:12.7 occ:1.00 NAJ A:N84302 2.0 11.4 1.0 NE2 A:HIS96 2.0 11.8 1.0 NE2 A:HIS94 2.0 10.8 1.0 ND1 A:HIS119 2.0 13.8 1.0 CD2 A:HIS96 2.9 13.1 1.0 CE1 A:HIS119 2.9 12.5 1.0 CD2 A:HIS94 3.0 12.9 1.0 OAH A:N84302 3.0 13.5 1.0 CE1 A:HIS94 3.0 11.5 1.0 SAG A:N84302 3.1 14.1 1.0 CE1 A:HIS96 3.1 13.4 1.0 CG A:HIS119 3.1 10.8 1.0 CB A:HIS119 3.5 11.8 1.0 O A:HOH554 3.8 23.4 1.0 OG1 A:THR199 3.8 12.4 1.0 OE1 A:GLU106 3.9 13.0 1.0 NE2 A:HIS119 4.1 11.2 1.0 CG A:HIS96 4.1 13.5 1.0 CG A:HIS94 4.1 13.0 1.0 ND1 A:HIS94 4.1 13.1 1.0 ND1 A:HIS96 4.1 11.8 1.0 OAI A:N84302 4.2 13.1 1.0 CD2 A:HIS119 4.2 10.9 1.0 CAE A:N84302 4.3 13.2 1.0 CAD A:N84302 4.8 15.9 1.0 CD A:GLU106 4.9 11.8 1.0 O A:HOH619 4.9 28.0 1.0 CA A:HIS119 5.0 11.1 1.0

J.Combs, M.Bozdag, L.D.Cravey, A.Kota, R.Mckenna, A.Angeli, F.Carta, C.T.Supuran. New Insights Into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules V. 28 2023.
ISSN: ESSN 1420-3049
PubMed: 36677947
DOI: 10.3390/MOLECULES28020890