Literature summary for 2.1.1.79 extracted from

Guianvarch, D.; Guangqi E, D.; Drujon, T.; Rey, C.; Wang, Q.; Ploux, O.
Identification of inhibitors of the E. coli cyclopropane fatty acid synthase from the screening of a chemical library: In vitro and in vivo studies (2008), Biochim. Biophys. Acta, 1784, 1652-1658.

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Cloned(Commentary)

Cloned (Comment)	Organism
recombinantly expressed in Escherichia coli	Escherichia coli

Inhibitors

Inhibitors	Comment	Organism	Structure
(12aS,12bS)-7-fluoro-2,3,5,12,12a,12b-hexahydro-1H,4H-11-oxa-3a,9b-diazabenzo[a]naphtho[2,1,8-cde]azulene	-	Escherichia coli
(1R,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 4-hydroxy-3,5-dimethoxybenzoate	-	Escherichia coli
1,2,5-trimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole	-	Escherichia coli
2,5,11-trimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole	-	Escherichia coli
3beta,5alpha-17a-aza-D-homoandrostan-3-ol	-	Escherichia coli
5'-S-[2-(decylamino)ethyl]-5'-thioadenosine	this compound is also found to completely inhibit cyclopropanation of the phospholipids in growing Escherichia coli cells in vivo, at 0.15 mM	Escherichia coli
9-methoxy-1,2,5-trimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole	-	Escherichia coli
dioctylamine	-	Escherichia coli
sinefungin	-	Escherichia coli

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
additional information	-	additional information	Km (phospholipids): 0.5 mg/ml. Since a mixture of phospholipids prepared from an Escherichia coli K12 strain is used, the Km constant is only an apparent constant given in mg/mL unit rather than molar unit	Escherichia coli
0.08	-	S-adenosyl-L-methionine	-	Escherichia coli

Organism

Organism	UniProt	Comment	Textmining
Escherichia coli	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
S-adenosyl-L-methionine + phospholipids	-	Escherichia coli	S-adenosyl-L-homocysteine + phospholipid + cyclopropane fatty acid	-	?

Synonyms

Synonyms	Comment	Organism
CFAS	-	Escherichia coli
cyclopropane fatty acid synthase	-	Escherichia coli

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
37	-	assay at	Escherichia coli

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
7.4	-	assay at	Escherichia coli

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.00013	-	dioctylamine	competitive inhibitor with respect to phospholipids	Escherichia coli
0.00026	-	dioctylamine	uncompetitive inhibitor with respect to S-adenosyl-L-methionine	Escherichia coli
0.0005	-	sinefungin	competitive inhibitor with respect to S-adenosyl-L-methionine	Escherichia coli
0.0011	-	(12aS,12bS)-7-fluoro-2,3,5,12,12a,12b-hexahydro-1H,4H-11-oxa-3a,9b-diazabenzo[a]naphtho[2,1,8-cde]azulene	inhibits CAFS in a mixed-type fashion with respect to phospholipids	Escherichia coli
0.0014	-	(12aS,12bS)-7-fluoro-2,3,5,12,12a,12b-hexahydro-1H,4H-11-oxa-3a,9b-diazabenzo[a]naphtho[2,1,8-cde]azulene	inhibits the CFAS non-competitively with respect to AdoMet	Escherichia coli
0.006	-	5'-S-[2-(decylamino)ethyl]-5'-thioadenosine	apparent inhibition constant when the phospholipids are the variable substrates. Noncompetitive inhibitor with respect to both substrates	Escherichia coli
0.0072	-	sinefungin	non-competitive inhibitor with respect to the phospholipids	Escherichia coli
0.016	-	5'-S-[2-(decylamino)ethyl]-5'-thioadenosine	apparent inhibition constant when S-adenosyl-L-methionine is the variable substrates. Noncompetitive inhibitor with respect to both substrates	Escherichia coli

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.001	-	-	Escherichia coli	9-methoxy-1,2,5-trimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole
0.004	-	-	Escherichia coli	dioctylamine
0.004	-	-	Escherichia coli	1,2,5-trimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole
0.005	-	-	Escherichia coli	2,5,11-trimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole
0.007	-	-	Escherichia coli	(12aS,12bS)-7-fluoro-2,3,5,12,12a,12b-hexahydro-1H,4H-11-oxa-3a,9b-diazabenzo[a]naphtho[2,1,8-cde]azulene
0.009	-	-	Escherichia coli	sinefungin
0.009	-	-	Escherichia coli	3beta,5alpha-17a-aza-D-homoandrostan-3-ol
0.01	-	-	Escherichia coli	5'-S-[2-(decylamino)ethyl]-5'-thioadenosine
0.01	-	-	Escherichia coli	(1R,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 4-hydroxy-3,5-dimethoxybenzoate

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Release 2023.1 (January 2023)