Zinc in PDB 6h29: Human Carbonic Anhydrase II in Complex with Benzyl Carbamate

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Benzyl Carbamate:
4.2.1.1;

The structure of Human Carbonic Anhydrase II in Complex with Benzyl Carbamate, PDB code: 6h29 was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.80 / 1.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.323, 41.586, 71.818, 90.00, 104.38, 90.00
R / Rfree (%)	16.9 / 18.4

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with Benzyl Carbamate (pdb code 6h29). 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 Human Carbonic Anhydrase II in Complex with Benzyl Carbamate, PDB code: 6h29:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with Benzyl Carbamate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II in Complex with Benzyl Carbamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:5.6 occ:1.00 N1 A:FK8302 2.0 4.3 1.0 NE2 A:HIS96 2.0 4.4 1.0 NE2 A:HIS94 2.0 3.8 1.0 ND1 A:HIS119 2.0 5.0 1.0 C1 A:FK8302 2.9 13.4 1.0 CE1 A:HIS119 2.9 3.8 1.0 O2 A:FK8302 3.0 13.5 1.0 CE1 A:HIS96 3.0 6.7 1.0 CD2 A:HIS94 3.0 4.9 1.0 CE1 A:HIS94 3.0 4.7 1.0 CD2 A:HIS96 3.0 4.5 1.0 CG A:HIS119 3.1 4.5 1.0 CB A:HIS119 3.6 3.8 1.0 O A:HOH517 3.6 8.4 1.0 OG1 A:THR199 4.0 5.1 1.0 OE1 A:GLU106 4.0 5.0 1.0 O1 A:FK8302 4.0 12.4 1.0 NE2 A:HIS119 4.1 3.6 1.0 ND1 A:HIS94 4.1 4.7 1.0 ND1 A:HIS96 4.1 4.9 1.0 CG A:HIS94 4.2 5.2 1.0 CG A:HIS96 4.2 3.9 1.0 CD2 A:HIS119 4.2 4.1 1.0 C2 A:FK8302 4.4 18.7 1.0 O A:HOH610 4.5 16.1 1.0 CD A:GLU106 4.9 5.6 1.0 C4 A:FK8302 5.0 21.4 1.0

G.De Simone, A.Angeli, M.Bozdag, C.T.Supuran, J.Y.Winum, S.M.Monti, V.Alterio. Inhibition of Carbonic Anhydrases By A Substrate Analog: Benzyl Carbamate Directly Coordinates the Catalytic Zinc Ion Mimicking Bicarbonate Binding. Chem. Commun. (Camb.) V. 54 10312 2018.
ISSN: ESSN 1364-548X
PubMed: 30140816
DOI: 10.1039/C8CC05755A