5LMD

The crystal structure of hCA II in complex with a benzoxaborole inhibitor

Summary for 5LMD

Entry DOI	10.2210/pdb5lmd/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, ... (4 entities in total)
Functional Keywords	benzoxaborole, zinc enzyme, inhibitor, lyase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : P00918
Total number of polymer chains	1
Total formula weight	29871.85
Authors	De Simone, G.,Alterio, V.,Esposito, D.,Di Fiore, A. (deposition date: 2016-07-29, release date: 2016-10-19, Last modification date: 2024-01-10)
Primary citation	Alterio, V.,Cadoni, R.,Esposito, D.,Vullo, D.,Fiore, A.D.,Monti, S.M.,Caporale, A.,Ruvo, M.,Sechi, M.,Dumy, P.,Supuran, C.T.,Simone, G.,Winum, J.Y. Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52:11983-11986, 2016 Cited by PubMed: 27722534 DOI: 10.1039/c6cc06399c PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation