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Ligands
Code Name Style Show Link
C16 4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzonitrile
PO4 Phosphate ion
UMP 2'-deoxyuridine 5'-monophosphate
Non-standard Residues
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Code : 3BNZ   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of Thymidylate Synthase ternary complex with dUMP and 8A inhibitor
Release Data : 2008-12-16
Compound :
mol_id molecule chains synonym
1 Thymidylate synthase A TS, TSase
ec: 2.1.1.45
Source :
mol_id organism_scientific expression_system
1 Lactobacillus casei  (taxid:1582) Escherichia coli  (taxid:562)
expression_system_vector_type: plasmid
Authors : Leone, R., Cancian, L., Luciani, R., Ferrari, S., Costi, M.P., Mangani, S.
Keywords : Thymidylate Synthase, Methyltransferase, Nucleotide biosynthesis, Transferase
Exp. method : X-RAY DIFFRACTION ( 2.60 Å )
Citation :

Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening

Mangani, S.,Cancian, L.,Leone, R.  et al.
(2011)  J.Med.Chem.  54 : 5454 - 5467

PubMed: 21696158
DOI: 10.1021/jm2005018

Chain : A
UniProt : P00469 (TYSY_LACCA)
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
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