Brand  (β version)

PDB ID: 1AXW

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Ligands
Code Name Style Show Link
MTX Methotrexate PoSSuM
UMP 2'-deoxyuridine 5'-monophosphate PoSSuM
Non-standard Residues
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Glycosylation
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Modification
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FMT Formic acid

Structure summary

Code : 1AXW   PDBj   RCSB PDB   PDBe
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

Reaction

Chain : A, B
UniProt : P0A884 (TYSY_ECOLI)
Reaction: EC: Evidence:
Physiological Direction:
(6R)-5,10-methylene-5,6,7,8-tetrahydrofolate + dUMP = 7,8- dihydrofolate + dTMP 2.1.1.45 HAMAP-Rule:MF_00008, PubMed:2223754, PubMed:3286637, PubMed:9826509
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