5BY6

Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP

Replaces:  4G9U

Summary for 5BY6

• Entry DOI: 10.2210/pdb5by6/pdb
• Descriptor: Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... (5 entities in total)
• Functional Keywords: trichinella spiralis, parasitic nematode, protein-ligand complex, methyltransferase, transferase
• Biological source: Trichinella spiralis (Trichina worm)
• Total number of polymer chains: 4
• Total formula weight: 144301.48

Authors

Dowiercial, A.,Jarmula, A.,Rypniewski, W.,Fraczyk, T.,Wilk, P.,Rode, W. (deposition date: 2015-06-10, release date: 2015-06-17, Last modification date: 2024-01-10)

• Primary citation: Jarmula, A.,Wilk, P.,Maj, P.,Ludwiczak, J.,Dowiercial, A.,Banaszak, K.,Rypniewski, W.,Ciesla, J.,Dabrowska, M.,Fraczyk, T.,Bronowska, A.K.,Jakowiecki, J.,Filipek, S.,Rode, W.; Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.; J. Mol. Graph. Model., 77:33-50, 2017; PubMed: 28826032; DOI: 10.1016/j.jmgm.2017.08.008

Experimental method

X-RAY DIFFRACTION (1.9 Å)