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: 27722534DOI: 10.1039/c6cc06399c PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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