6OJS

Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid

Summary for 6OJS

DescriptorBifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ... (5 entities in total)
Functional Keywordsinhibitor, ts, ts-dhfr, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceCryptosporidium hominis
Total number of polymer chains5
Total molecular weight311009.68
Authors
Czyzyk, D.J.,Anderson, K.S.,Jorgensen, W.L.,Valhondo, M. (deposition date: 2019-04-12, release date: 2019-06-19, Last modification date: 2019-08-21)
Primary citation
Czyzyk, D.J.,Valhondo, M.,Jorgensen, W.L.,Anderson, K.S.
Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593:2069-2078, 2019
PubMed: 31172516 (PDB entries with the same primary citation)
DOI: 10.1002/1873-3468.13474
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.214 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23270 0.5% 0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution