4KY8

Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, methotrexate, FdUMP and 4-((2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)thio)-2-chlorophenyl)-L-glutamic acid

Summary for 4KY8

Entry DOI	10.2210/pdb4ky8/pdb
Related	1QZF 2OIP 3DL5 3DL6 3HJ3
Descriptor	Bifunctional thymidylate synthase-dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ... (5 entities in total)
Functional Keywords	bifunctional enzyme, transferase, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological source	Cryptosporidium hominis
Total number of polymer chains	5
Total formula weight	311342.23
Authors	Kumar, V.P.,Anderson, K.S. (deposition date: 2013-05-28, release date: 2013-08-21, Last modification date: 2023-09-20)
Primary citation	Kumar, V.P.,Frey, K.M.,Wang, Y.,Jain, H.K.,Gangjee, A.,Anderson, K.S. Substituted pyrrolo[2,3-d]pyrimidines as Cryptosporidium hominis thymidylate synthase inhibitors. Bioorg.Med.Chem.Lett., 23:5426-5428, 2013 Cited by PubMed: 23927969 DOI: 10.1016/j.bmcl.2013.07.037 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.084 Å)

Structure validation