6VJ3

Carbonic Anhydrase II in complex with pyrimidine-based inhibitor

Summary for 6VJ3

Entry DOI	10.2210/pdb6vj3/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, ... (5 entities in total)
Functional Keywords	ca ii, sulfonamide, pyrimidine, inhibitor, cancer, lyase, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	29552.60
Authors	Lomelino, C.L.,McKenna, R. (deposition date: 2020-01-14, release date: 2020-03-11, Last modification date: 2023-10-11)
Primary citation	Petreni, A.,Bonardi, A.,Lomelino, C.,Osman, S.M.,ALOthman, Z.A.,Eldehna, W.M.,El-Haggar, R.,McKenna, R.,Nocentini, A.,Supuran, C.T. Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells. Eur.J.Med.Chem., 190:112112-112112, 2020 Cited by PubMed: 32044580 DOI: 10.1016/j.ejmech.2020.112112 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.35 Å)

Structure validation