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Literature summary extracted from

  • He, X.; Reeve, A.M.; Desai, U.R.; Kellogg, G.E.; Reynolds, K.A.
    1,2-dithiole-3-ones as potent inhibitors of the bacterial 3-ketoacyl acyl carrier protein synthase III (FabH) (2004), Antimicrob. Agents Chemother., 48, 3093-3102.
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.3.1.180 4,5-dichloro-1,2-dithiole-3-one IC50 is 0.002 mM Escherichia coli
2.3.1.180 4,5-dichloro-1,2-dithiole-3-one IC50 is 0.00016 mM Staphylococcus aureus
2.3.1.180 5-chloro-1,2-dithiole-3-ones binding mode, structural features for optimal complex formation, inhibition potencies of derivatives, the derivatives differ in case of reversibility of the inhibition dependent on the substituting groups, overview Escherichia coli
2.3.1.180 5-chloro-1,2-dithiole-3-ones binding mode, structural features for optimal complex formation, inhibition potencies of derivatives, the derivatives differ in case of reversibility of the inhibition dependent on the substituting groups, overview Staphylococcus aureus
2.3.1.180 5-chloro-1,2-dithiole-3-thiones binding mode, structural features for optimal complex formation, inhibition potencies of derivatives, the derivatives differ in case of reversibility of the inhibition dependent on the substituting groups, overview Escherichia coli
2.3.1.180 5-chloro-1,2-dithiole-3-thiones binding mode, structural features for optimal complex formation, inhibition potencies of derivatives, the derivatives differ in case of reversibility of the inhibition dependent on the substituting groups, overview Staphylococcus aureus
2.3.1.180 additional information inhibition mechanism, molecular modeling Escherichia coli
2.3.1.180 additional information inhibition mechanism, molecular modeling Staphylococcus aureus

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.3.1.180 acetyl-CoA + malonyl-[acyl-carrier protein] Staphylococcus aureus the enzyme catalyzes the initial step in fatty acid biosynthesis via type II fatty acid synthase acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?
2.3.1.180 acetyl-CoA + malonyl-[acyl-carrier protein] Escherichia coli the enzyme catalyzes the initial step in fatty acid biosynthesis via type II fatty acid synthase acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.3.1.180 Escherichia coli P0A6R0
-
-
2.3.1.180 Staphylococcus aureus
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.3.1.180 acetyl-CoA + malonyl-[acyl-carrier protein]
-
 Staphylococcus aureus acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?
2.3.1.180 acetyl-CoA + malonyl-[acyl-carrier protein]
-
 Escherichia coli acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?
2.3.1.180 acetyl-CoA + malonyl-[acyl-carrier protein] the enzyme catalyzes the initial step in fatty acid biosynthesis via type II fatty acid synthase Staphylococcus aureus acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?
2.3.1.180 acetyl-CoA + malonyl-[acyl-carrier protein] the enzyme catalyzes the initial step in fatty acid biosynthesis via type II fatty acid synthase Escherichia coli acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.3.1.180 3-ketoacyl acyl carrier protein synthase III
-
 Staphylococcus aureus
2.3.1.180 3-ketoacyl acyl carrier protein synthase III
-
 Escherichia coli
2.3.1.180 FabH
-
 Staphylococcus aureus
2.3.1.180 FabH
-
 Escherichia coli

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
2.3.1.180 23
-
 assay at Staphylococcus aureus
2.3.1.180 30
-
 assay at Escherichia coli

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
2.3.1.180 7.2
-
 assay at Staphylococcus aureus
2.3.1.180 7.3
-
 assay at Escherichia coli

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.3.1.180 0.00016
-
 IC50 is 0.00016 mM Staphylococcus aureus 4,5-dichloro-1,2-dithiole-3-one
2.3.1.180 0.002
-
 IC50 is 0.002 mM Escherichia coli 4,5-dichloro-1,2-dithiole-3-one