5AML

Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid

Summary for 5AML

Entry DOI	10.2210/pdb5aml/pdb
Related	5AMD 5AMG
Descriptor	CARBONIC ANHYDRASE 2, ZINC ION, 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, ... (4 entities in total)
Functional Keywords	lyase, ca ii, ca 2
Biological source	HOMO SAPIENS (HUMAN)
Total number of polymer chains	1
Total formula weight	29555.63
Authors	Leitans, J.,Tars, K.,Zalubovskis, R. (deposition date: 2015-03-10, release date: 2015-04-08, Last modification date: 2024-01-10)
Primary citation	Ivanova, J.,Leitans, J.,Tanc, M.,Kazaks, A.,Zalubovskis, R.,Supuran, C.T.,Tars, K. X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors. Chem.Commun.(Camb.), 51:7108-, 2015 Cited by PubMed Abstract: 1-N-Alkylated-6-sulfamoyl saccharin derivatives were prepared and assayed as carbonic anhydrase inhibitors (CAIs). During X-ray crystallographic experiments an unexpected hydrolysis of the isothiazole ring was evidenced which allowed us to prepare highly potent enzyme inhibitors with selectivity for some isoforms with medical applications. PubMed: 25813715 DOI: 10.1039/C5CC01854D PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.36 Å)

Structure validation