4ISK

Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor

Summary for 4ISK

Entry DOI	10.2210/pdb4isk/pdb
Related	1AN5 1AXW 1HVY 2KCE
Descriptor	Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, ... (6 entities in total)
Functional Keywords	alpha/beta protein, methylase, methyltransferase, dump subtrate, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Escherichia coli
Cellular location	Cytoplasm: P0A884
Total number of polymer chains	8
Total formula weight	252304.06
Authors	Tochowicz, A.,Finer-Moore, J.,Stroud, R.M. (deposition date: 2013-01-16, release date: 2013-12-25, Last modification date: 2014-02-12)
Primary citation	Tochowicz, A.,Dalziel, S.,Eidam, O.,O'Connell, J.D.,Griner, S.,Finer-Moore, J.S.,Stroud, R.M. Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells. J.Med.Chem., 56:5446-5455, 2013 Cited by PubMed: 23710599 DOI: 10.1021/jm400490e PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.752 Å)

Structure validation