Literature summary for 3.1.2.20 extracted from

Cantu, D.C.; Ardevol, A.; Rovira, C.; Reilly, P.J.
Molecular mechanism of a hotdog-fold acyl-CoA thioesterase (2014), Chemistry, 20, 9045-9051.

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Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Reaction

Reaction	Comment	Organism	Reaction ID
an acyl-CoA + H2O = CoA + a carboxylate	based on the results of quantum mechanics/molecular mechanics metadynamics techniques simulations, it is demonstrated that hotdog-fold hTHEM2 follows a simple mechanism in which a water molecule directly attacks the carbonyl carbon atom to cleave the thioester bond without requiring an enzyme-substrate covalent intermediate the reaction, providing evidence for the formation of a tetrahedral-like transition state	Homo sapiens	a

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
hexanoyl-CoA + H2O	molecular dynamic simulations are carried out on the X-ray structure 3F5O with hexanoyl-CoA as the substrate	Homo sapiens	CoA + hexanoate	-	?

Synonyms

Synonyms	Comment	Organism
acyl-CoA thioesterase	-	Homo sapiens
hTHEM2	-	Homo sapiens

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Release 2023.1 (January 2023)