Literature summary for 2.3.1.180 extracted from

Khandekar, S.S.; Gentry, D.R.; Van Aller, G.S.; Warren, P.; Xiang, H.; Silverman, C.; Doyle, M.L.; Chambers, P.A.; Konstantinidis, A.K.; Brandt, M.; Daines, R.A.; Lonsdale, J.T.
Identification, substrate specificity, and inhibition of the Streptococcus pneumoniae beta-ketoacyl-acyl carrier protein synthase III (FabH) (2001), J. Biol. Chem., 276, 30024-30030.

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Application

Application	Comment	Organism
pharmacology	the enzyme is a target for design and development of antibacterial drugs against pathogenic bacteria	Streptococcus pneumoniae

Cloned(Commentary)

Cloned (Comment)	Organism
gene fabH, expression of His-tagged enzyme containing a thrombin cleavage site in strain BL21(DE3)	Streptococcus pneumoniae

Inhibitors

Inhibitors	Comment	Organism	Structure
cerulenin	the IC50 is 0.2 mM	Streptococcus pneumoniae
SB418011	potent inhibition, the IC50 is 16 nM	Streptococcus pneumoniae
thiolactomycin	weak inhibition, the IC50 is 0.008 mM	Streptococcus pneumoniae

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
0.0186	-	malonyl-[acyl-carrier protein]	pH 7.0, recombinant enzyme	Streptococcus pneumoniae
0.0403	-	acetyl-CoA	pH 7.0, recombinant enzyme	Streptococcus pneumoniae

Molecular Weight [Da]

Molecular Weight [Da]	Molecular Weight Maximum [Da]	Comment	Organism
34000	-	x * 34000, recombinant detagged enzyme, SDS-PAGE	Streptococcus pneumoniae

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
acetyl-CoA + malonyl-[acyl-carrier protein]	Streptococcus pneumoniae	-	acetoacetyl-[acyl-carrier protein] + CoA + CO2	-	?

Organism

Organism	UniProt	Comment	Textmining
Streptococcus pneumoniae	P0A3C5	gene fabH	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant His-tagged enzyme from strain BL21(DE3) by nickel affinity chromatography and gel filtration, the tag is cleaved off by thrombin	Streptococcus pneumoniae

Reaction

Reaction	Comment	Organism	Reaction ID
acetyl-CoA + a malonyl-[acyl-carrier protein] = an acetoacetyl-[acyl-carrier protein] + CoA + CO2	active site structure contains a catalytic triad of His249-Asn279-Cys112 residues	Streptococcus pneumoniae	a

Specific Activity [micromol/min/mg]

Specific Activity Minimum [µmol/min/mg]	Specific Activity Maximum [µmol/min/mg]	Comment	Organism
additional information	-	substrate specificity	Streptococcus pneumoniae
0.005	-	purified recombinant enzyme, substrates acetyl-CoA and malonyl-[acyl-carrier-protein]	Streptococcus pneumoniae

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
acetyl-CoA + malonyl-[acyl-carrier protein]	-	Streptococcus pneumoniae	acetoacetyl-[acyl-carrier protein] + CoA + CO2	-	?
acetyl-CoA + malonyl-[acyl-carrier protein]	preferred CoA primer is acetyl-CoA	Streptococcus pneumoniae	acetoacetyl-[acyl-carrier protein] + CoA + CO2	-	?
butyryl-CoA + malonyl-[acyl-carrier protein]	-	Streptococcus pneumoniae	3-oxo-hexanoyl-[acyl-carrier protein] + CoA + CO2	-	?
isobutyryl-CoA + malonyl-[acyl-carrier protein]	-	Streptococcus pneumoniae	3-oxo-4-methyl-pentanoyl-[acyl-carrier protein] + CoA + CO2	-	?
isovaleryl-CoA + malonyl-[acyl-carrier protein]	-	Streptococcus pneumoniae	3-oxo-5-methyl-hexanoyl-[acyl-carrier protein] + CoA + CO2	-	?
additional information	substrate specificity, the recombinant enzyme prefers straight short-chain CoA primer substrates, preferred CoA primer is acetyl-CoA, no activity with lauroyl-CoA and palmitoyl-CoA	Streptococcus pneumoniae	?	-	?

Subunits

Subunits	Comment	Organism
?	x * 34000, recombinant detagged enzyme, SDS-PAGE	Streptococcus pneumoniae

Synonyms

Synonyms	Comment	Organism
beta-ketoacyl-acyl carrier protein synthase III	-	Streptococcus pneumoniae
FabH	-	Streptococcus pneumoniae

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
7	-	assay at	Streptococcus pneumoniae

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000016	-	potent inhibition, the IC50 is 16 nM	Streptococcus pneumoniae	SB418011
0.008	-	weak inhibition, the IC50 is 0.008 mM	Streptococcus pneumoniae	thiolactomycin
0.2	-	the IC50 is 0.2 mM	Streptococcus pneumoniae	cerulenin

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Release 2023.1 (January 2023)