6H29

HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BENZYL CARBAMATE

Summary for 6H29

Entry DOI	10.2210/pdb6h29/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, (phenylmethyl) carbamate, ... (4 entities in total)
Functional Keywords	benzyl carbamate, inhibitor complex, human carbonic anhydrase ii, lyase
Biological source	Homo sapiens
Total number of polymer chains	1
Total formula weight	29505.63
Authors	Alterio, V.,De Simone, G. (deposition date: 2018-07-13, release date: 2018-09-05, Last modification date: 2024-01-17)
Primary citation	De Simone, G.,Angeli, A.,Bozdag, M.,Supuran, C.T.,Winum, J.Y.,Monti, S.M.,Alterio, V. Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding. Chem. Commun. (Camb.), 54:10312-10315, 2018 Cited by PubMed Abstract: N-Unsubstituted carbamates have scarcely been investigated so far as carbonic anhydrase inhibitors (CAIs). By means of kinetic and structural studies, in this paper we demonstrate that such molecules can effectively inhibit hCAs and can be used as lead compounds for the development of CAIs possessing a binding mode similar to one of the CA substrates, bicarbonate. PubMed: 30140816 DOI: 10.1039/c8cc05755a PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.46 Å)

Structure validation