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: 23927969DOI: 10.1016/j.bmcl.2013.07.037 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.084 Å) |
Structure validation
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