Literature summary extracted from

Lau, E.Y.; Bruice, T.C.
The active site dynamics of 4-chlorobenzoyl-CoA dehalogenase (2001), Proc. Natl. Acad. Sci. USA, 98, 9527-9532.

Protein Variants

EC Number	Protein Variants	Comment	Organism
3.8.1.7	W137F	structure and reaction simulations compared to the wild-type enzyme	Pseudomonas sp.

Natural Substrates/ Products (Substrates)

EC Number	Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
3.8.1.7	4-chlorobenzoyl-CoA + H2O	Pseudomonas sp.	-	4-hydroxybenzoyl-CoA + chloride	-	?
3.8.1.7	4-chlorobenzoyl-CoA + H2O	Pseudomonas sp. CBS-3	-	4-hydroxybenzoyl-CoA + chloride	-	?

Organism

EC Number	Organism	UniProt	Comment	Textmining
3.8.1.7	Pseudomonas sp.	-	-	-
3.8.1.7	Pseudomonas sp. CBS-3	-	-	-

Reaction

EC Number	Reaction	Comment	Organism	Reaction ID
3.8.1.7	4-chlorobenzoyl-CoA + H2O = 4-hydroxybenzoyl CoA + chloride	specific for dehalogenation at the 4-position, can dehalogenate substrates bearing fluorine, chlorine, bromine and iodine in the 4-position, SNAr reaction mechanism, the substrate is bound in the active site primariliy formed by 2 of 3 subunits, reaction is initiated by the nucleophilic attack at the C4 of the benzoyl group of the substrate by carboxylate of Asp145 to form a Meisenheimer intermediate, general base for the hydrolysis is His90, the benzoyl group is surrounded by F64, F82, W89, and W137, active site conformations of wild-type and mutant W137F	Pseudomonas sp.	a

Substrates and Products (Substrate)

EC Number	Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
3.8.1.7	4-chlorobenzoyl-CoA + H2O	-	Pseudomonas sp.	4-hydroxybenzoyl-CoA + chloride	-	?
3.8.1.7	4-chlorobenzoyl-CoA + H2O	-	Pseudomonas sp. CBS-3	4-hydroxybenzoyl-CoA + chloride	-	?

Synonyms

EC Number	Synonyms	Comment	Organism
3.8.1.7	4-CBA-CoA dehalogenase	-	Pseudomonas sp.

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Release 2023.1 (January 2023)