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Literature summary for 2.3.1.180 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

Inhibitors Comment Organism Structure
4,5-dichloro-1,2-dithiole-3-one IC50 is 0.002 mM Escherichia coli
4,5-dichloro-1,2-dithiole-3-one IC50 is 0.00016 mM Staphylococcus aureus
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
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
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
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
additional information inhibition mechanism, molecular modeling Escherichia coli
additional information inhibition mechanism, molecular modeling Staphylococcus aureus

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
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
-
?
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

Organism UniProt Comment Textmining
Escherichia coli P0A6R0
-
-
Staphylococcus aureus
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
acetyl-CoA + malonyl-[acyl-carrier protein]
-
Staphylococcus aureus acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
?
acetyl-CoA + malonyl-[acyl-carrier protein]
-
Escherichia coli acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
?
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
-
?
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

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

Temperature Optimum [°C]

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

pH Optimum

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

IC50 Value

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