6RVL

Crystal structure of hCA II with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-?N'-phenyl-

Summary for 6RVL

Entry DOI	10.2210/pdb6rvl/pdb
Related	1CA2
Descriptor	Carbonic anhydrase 2, ZINC ION, 1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea, ... (4 entities in total)
Functional Keywords	protein-inhibitor binding, lyase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	29843.87
Authors	Di Fiore, A.,De Simone, G. (deposition date: 2019-05-31, release date: 2019-08-28, Last modification date: 2024-01-24)
Primary citation	Langella, E.,Alterio, V.,D'Ambrosio, K.,Cadoni, R.,Winum, J.Y.,Supuran, C.T.,Monti, S.M.,De Simone, G.,Di Fiore, A. Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity. J Enzyme Inhib Med Chem, 34:1498-1505, 2019 Cited by PubMed: 31423863 DOI: 10.1080/14756366.2019.1653291 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.72 Å)

Structure validation