3BET

Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution

Summary for 3BET

Entry DOI	10.2210/pdb3bet/pdb
Related	1CA2 2gd8
Descriptor	Carbonic anhydrase 2, ZINC ION, (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate, ... (5 entities in total)
Functional Keywords	protein-inhibitor complex, disease mutation, lyase, metal-binding
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: P00918
Total number of polymer chains	1
Total formula weight	29719.89
Authors	Di Fiore, A.,De Simone, G. (deposition date: 2007-11-20, release date: 2008-10-07, Last modification date: 2023-11-01)
Primary citation	Leese, M.P.,Jourdan, F.L.,Gaukroger, K.,Mahon, M.F.,Newman, S.P.,Foster, P.A.,Stengel, C.,Regis-Lydi, S.,Ferrandis, E.,Di Fiore, A.,De Simone, G.,Supuran, C.T.,Purohit, A.,Reed, M.J.,Potter, B.V. Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents J.Med.Chem., 51:1295-1308, 2008 Cited by PubMed: 18260615 DOI: 10.1021/jm701319c PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation