Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
MTX Methotrexate
UMP 2'-deoxyuridine 5'-monophosphate
Modified Residues
Code Name Link
FMT Formic acid
Code : 1AXW
Header : METHYLTRANSFERASE
Title : E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Release Data : 1998-10-28
Compound :
mol_id molecule chains synonym
1 THYMIDYLATE SYNTHASE A,B TS, THYMIDYLATE SYNTHETASE
ec: 2.1.1.45
Source :
mol_id organism_scientific expression_system
1 Escherichia coli  (taxid:562) Escherichia coli  (taxid:562)
cell_line: X2913
gene: THYA
expression_system_plasmid: PTHYA-WT
expression_system_gene: THYA
Authors : Stout, T.J., Sage, C.R., Stroud, R.M.
Keywords : METHYLTRANSFERASE, TRANSFERASE, INHIBITOR
Exp. method : X-RAY DIFFRACTION ( 1.70 Å )
Citation :

Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function

Welch, W.,Sage, C.R.,Stout, T.J.  et al.
To be Published 

Erratum. Structure, Multiple Site Binding, and Segmental Accommodation in Thymidylate Synthase on Binding Dump and an Anti-Folate

Montfort, W.R.,Perry, K.M.,Fauman, E.B.  et al.
(1990)  Biochemistry  29 : 10864

Structure, Multiple Site Binding, and Segmental Accommodation in Thymidylate Synthase on Binding Dump and an Anti-Folate

Montfort, W.R.,Perry, K.M.,Fauman, E.B.  et al.
(1990)  Biochemistry  29 : 6964

Chain : A, B
UniProt : P0A884 (TYSY_ECOLI)
Reaction : 5,10-methylenetetrahydrofolate + dUMP = dihydrofolate + dTMP.