Literature summary for 1.1.1.100 extracted from

Wickramasinghe, S.R.; Inglis, K.A.; Urch, J.E.; Mueller, S.; van Aalten, D.M.; Fairlamb, A.H.
Kinetic, inhibition and structural studies on 3-oxoacyl-ACP reductase from Plasmodium falciparum, a key enzyme in fatty acid biosynthesis (2006), Biochem. J., 393, 447-457.

Search for more literature for 1.1.1.100

Cloned(Commentary)

Cloned (Comment)	Organism
gene fabG, DNA and amino acid sequence determination and analysis, expression of His10-tagged enzyme in Escherichia coli	Plasmodium falciparum

Crystallization (Commentary)

Crystallization (Comment)	Organism
purified recombinant enzyme, vapour diffusion method, 10 mg/ml protein in 20 mM HEPES, pH 6.8, 0.5 M NaCl, 1 mM DTT, and 0.5 mM EDTA, is mixed with an equal volume of reservoir solution containing 0.1 M MES, pH 6.0, 35% v/v 2-methyl-2,4-pentanediol, and 0.2 M LiSO4, equilibration against 1 ml of mother liquor, room temperature, 6 weeks, X-ray diffraction structure determination and analysis at 1.9 A resolution	Plasmodium falciparum

Crystallization (Comment)

Organism

purified recombinant enzyme, vapour diffusion method, 10 mg/ml protein in 20 mM HEPES, pH 6.8, 0.5 M NaCl, 1 mM DTT, and 0.5 mM EDTA, is mixed with an equal volume of reservoir solution containing 0.1 M MES, pH 6.0, 35% v/v 2-methyl-2,4-pentanediol, and 0.2 M LiSO4, equilibration against 1 ml of mother liquor, room temperature, 6 weeks, X-ray diffraction structure determination and analysis at 1.9 A resolution

Plasmodium falciparum

General Stability

General Stability	Organism
the purified recombinant enzyme is stable at room temperature at concentrations above 0.2 mg/ml, but unstable at 0.01 mg/ml	Plasmodium falciparum

Inhibitors

Inhibitors	Comment	Organism
3-hydroxybutyryl-CoA	competitive product inhibition	Plasmodium falciparum
bithionol	over 75% inhibition at 0.02 mM, IC50: 0.010 mM	Plasmodium falciparum
bromochlorophen	an anthelmintic agent, over 75% inhibition at 0.02 mM, IC50: 0.0154 mM	Plasmodium falciparum
di-resorcinol sulfide	over 75% inhibition at 0.02 mM, IC50: 0.0038 mM	Plasmodium falciparum
Hexachlorophene	an anthelmintic and antimicrobial agent, over 75% inhibition at 0.02 mM, IC50: 0.002 mM	Plasmodium falciparum
additional information	no inhibition by triclosan	Plasmodium falciparum

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism
additional information	-	additional information	kinetic analysis of the recombinant enzyme, kinetic mechanism	Plasmodium falciparum
0.0475	-	NADPH	pH 6.8, 25°C, recombinant enzyme	Plasmodium falciparum
0.51	-	acetoacetyl-CoA	pH 6.8, 25°C, recombinant enzyme	Plasmodium falciparum

Metals/Ions

Metals/Ions	Comment	Organism	Structure
additional information	the enzyme activity is maximal at a ionic strength of 325 mM	Plasmodium falciparum

Organism

Organism	UniProt	Comment	Textmining
Plasmodium falciparum	Q86RB1	gene fabG	-

Posttranslational Modification

Posttranslational Modification	Comment	Organism
additional information	the enzyme contains a signal peptide	Plasmodium falciparum

Purification (Commentary)

Purification (Comment)	Organism
recombinant His10-tagged enzyme from Escherichia coli by nickel affinity chromatography and gel filtration	Plasmodium falciparum

Reaction

Reaction	Comment	Organism	Reaction ID
a (3R)-3-hydroxyacyl-[acyl-carrier protein] + NADP+ = a 3-oxoacyl-[acyl-carrier protein] + NADPH + H+	ordered bi bi kinetic mechanism, [acyl-carrier protein] recognition mechanism	Plasmodium falciparum	a

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
acetoacetyl-CoA + NADPH	-	Plasmodium falciparum	3-hydroxybutyryl-CoA + NADP+	-	?

Subunits

Subunits	Comment	Organism
tetramer	crystal structure and ultrafiltration, quarternary structure analysis, monomer interactions, conformations in absence and presence of cofactor NADP+	Plasmodium falciparum

Synonyms

Synonyms	Comment	Organism
3-oxoacyl-ACP reductase	-	Plasmodium falciparum
FabG	-	Plasmodium falciparum
OAR	-	Plasmodium falciparum

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
25	-	assay at	Plasmodium falciparum

Turnover Number [1/s]

Turnover Number Minimum [1/s]	Turnover Number Maximum [1/s]	Substrate	Comment	Organism	Structure
265	-	NADPH	pH 6.8, 25°C, recombinant enzyme	Plasmodium falciparum
265	-	acetoacetyl-CoA	pH 6.8, 25°C, recombinant enzyme	Plasmodium falciparum

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
6.8	-	-	Plasmodium falciparum

Cofactor

Cofactor	Comment	Organism	Structure
NADPH	cofactor binding structure and mechanism	Plasmodium falciparum

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0102	-	3-hydroxybutyryl-CoA	pH 6.8, 25°C, recombinant enzyme	Plasmodium falciparum

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.002	-	an anthelmintic and antimicrobial agent, over 75% inhibition at 0.02 mM, IC50: 0.002 mM	Plasmodium falciparum	Hexachlorophene
0.0038	-	over 75% inhibition at 0.02 mM, IC50: 0.0038 mM	Plasmodium falciparum	di-resorcinol sulfide
0.01	-	over 75% inhibition at 0.02 mM, IC50: 0.010 mM	Plasmodium falciparum	bithionol
0.0154	-	an anthelmintic agent, over 75% inhibition at 0.02 mM, IC50: 0.0154 mM	Plasmodium falciparum	bromochlorophen