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Literature summary for 2.1.1.45 extracted from

  • Catalano, A.; Luciani, R.; Carocci, A.; Cortesi, D.; Pozzi, C.; Borsari, C.; Ferrari, S.; Mangani, S.
    X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors (2016), Eur. J. Med. Chem., 123, 649-664 .
    View publication on PubMed
Search for more literature for 2.1.1.45

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with synthesized inhibitors and with methotrexate Enterococcus faecalis

Inhibitors

Inhibitors Comment Organism Structure
2-(4-hydroxy[1,1'-biphenyl]-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
-
 Enterococcus faecalis
2-[2-(3-methoxyphenoxy)propyl]-4-methyl-1H-isoindole-1,3(2H)-dione
-
 Enterococcus faecalis
4'-[(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl][1,1'-biphenyl]-2-carbonitrile
-
 Enterococcus faecalis
4,5,6,7-tetrachloro-2-[3-(phenylsulfanyl)propyl]-1H-isoindole-1,3(2H)-dione
-
 Enterococcus faecalis
methotrexate
-
 Enterococcus faecalis

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.0136
-
 5,10-methylenetetrahydrofolate pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis

Organism

Organism UniProt Comment Textmining
Enterococcus faecalis Q834R3
-
-
Enterococcus faecalis ATCC 700802 Q834R3
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
5,10-methylenetetrahydrofolate + dUMP
-
 Enterococcus faecalis dihydrofolate + dTMP
-
 ?
5,10-methylenetetrahydrofolate + dUMP
-
 Enterococcus faecalis ATCC 700802 dihydrofolate + dTMP
-
 ?

Synonyms

Synonyms Comment Organism
ThyA
-
 Enterococcus faecalis

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.002
-
 2-(4-hydroxy[1,1'-biphenyl]-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis
0.013
-
 2-[2-(3-methoxyphenoxy)propyl]-4-methyl-1H-isoindole-1,3(2H)-dione pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis
0.024
-
 4,5,6,7-tetrachloro-2-[3-(phenylsulfanyl)propyl]-1H-isoindole-1,3(2H)-dione pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis
0.025
-
 4'-[(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl][1,1'-biphenyl]-2-carbonitrile pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.013
-
 pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis methotrexate