5O07

The crystal structure of the human carbonic anhydrase II in complex with a nitroimidazole sulfamate inhibitor

Summary for 5O07

Entry DOI	10.2210/pdb5o07/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate, ... (4 entities in total)
Functional Keywords	sulfamate, zinc binding, lyase-lyase inhibitor complex, nitroimidazole, lyase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : P00918
Total number of polymer chains	1
Total formula weight	29604.70
Authors	Alterio, V.,De Simone, G.,Esposito, D. (deposition date: 2017-05-16, release date: 2017-08-02, Last modification date: 2024-01-17)
Primary citation	De Simone, G.,Langella, E.,Esposito, D.,Supuran, C.T.,Monti, S.M.,Winum, J.Y.,Alterio, V. Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations. J Enzyme Inhib Med Chem, 32:1002-1011, 2017 Cited by PubMed: 28738704 DOI: 10.1080/14756366.2017.1349764 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation