6RW1
Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)-
Summary for 6RW1
Entry DOI | 10.2210/pdb6rw1/pdb |
Related | 1CA2 |
Descriptor | Carbonic anhydrase 2, ZINC ION, 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)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 | 29857.89 |
Authors | Di Fiore, A.,De Simone, G. (deposition date: 2019-06-03, 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: 31423863DOI: 10.1080/14756366.2019.1653291 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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