1JTU

E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate

Summary for 1JTU

Entry DOI	10.2210/pdb1jtu/pdb
Related	1JTQ 1JU6 1JUJ
Descriptor	THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, ... (4 entities in total)
Functional Keywords	antifolate, dtmp synthesis, cancer, drug resistance, polyglutamylation, transferase
Biological source	Escherichia coli
Cellular location	Cytoplasm: P0A884
Total number of polymer chains	2
Total formula weight	63365.20
Authors	Sayre, P.H.,Finer-Moore, J.S.,Fritz, T.A.,Biermann, D.,Gates, S.B.,MacKellar, W.C.,Patel, V.F.,Stroud, R.M. (deposition date: 2001-08-22, release date: 2001-09-19, Last modification date: 2023-08-16)
Primary citation	Sayre, P.H.,Finer-Moore, J.S.,Fritz, T.A.,Biermann, D.,Gates, S.B.,MacKellar, W.C.,Patel, V.F.,Stroud, R.M. Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313:813-829, 2001 Cited by PubMed: 11697906 DOI: 10.1006/jmbi.2001.5074 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation