Literature summary for 4.1.1.76 extracted from

Lind, M.; Himo, F.
Theoretical study of reaction mechanism and stereoselectivity of arylmalonate decarboxylase (2014), ACS Catal., 4, 4153-4160 .

No PubMed abstract available

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Organism

Organism	UniProt	Comment	Textmining
Bordetella bronchiseptica	Q05115	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
2-methyl-2-phenylmalonate	the enantioselectivity in the case of 2-methyl-2-phenylmalonate substrate is dictated already in the substrate binding, because only one binding mode is energetically accessible	Bordetella bronchiseptica	2-phenylpropanoate + CO2	-	?
2-methyl-2-vinylmalonic acid	for the small 2-methyl-2-vinylmalonate substrate, both the binding and the following transition states contribute to the enantioselectivity	Bordetella bronchiseptica	(2S)-2-methylbut-3-enoic acid + CO2	-	?
additional information	reaction follows a mechanism in which decarboxylation of the substrate first takes place, followed by a stereoselective protonation by a cysteine residue. The enediolate intermediate and the transition states are stabilized by a number of hydrogen bonds that make up the dioxyanion hole, resulting in feasible energy barriers	Bordetella bronchiseptica	?	-	?

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Release 2023.1 (January 2023)