4FL7

The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide

Summary for 4FL7

Entry DOI	10.2210/pdb4fl7/pdb
Related	1AM6 1CA2 3T5U 3T5Z
Descriptor	Carbonic anhydrase 2, ZINC ION, GLYCEROL, ... (6 entities in total)
Functional Keywords	lyase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P00918
Total number of polymer chains	1
Total formula weight	29866.30
Authors	Di Fiore, A.,De Simone, G. (deposition date: 2012-06-14, release date: 2012-08-15, Last modification date: 2023-09-13)
Primary citation	Di Fiore, A.,Maresca, A.,Supuran, C.T.,De Simone, G. Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors. Chem.Commun.(Camb.), 48:8838-8840, 2012 Cited by PubMed Abstract: Hydroxamates (R-CONHOH) have been scarcely investigated as carbonic anhydrase (CA, EC 4.2.1.1) inhibitors (CAIs). An inhibition/structural study of PhCONHOH is reported against all human isoforms. Comparing aliphatic (R = Me and CF(3)) and aromatic (R = Ph) hydroxamates as CAIs, we prove that CONHOH is a versatile zinc binding group. Depending on the nature of the R moiety, it can adopt different coordination modes to the catalytic ion within the CA active site. PubMed: 22836518 DOI: 10.1039/c2cc34275h PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation