Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid

Summary for 6OJU

DescriptorThymidylate synthase,Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid, ... (4 entities in total)
Functional Keywordsinhibitor, ts-dhfr, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains4
Total molecular weight135642.54
Czyzyk, D.J.,Anderson, K.S.,Valhondo, M.,Jorgensen, W.L. (deposition date: 2019-04-12, release date: 2019-06-19)
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., 2019
PubMed: 31172516 (PDB entries with the same primary citation)
DOI: 10.1002/1873-3468.13474
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.250300 2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution