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Literature summary for 3.8.1.7 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.
    View publication on PubMedView publication on EuropePMC

Protein Variants

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

Natural Substrates/ Products (Substrates)

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

Organism

Organism UniProt Comment Textmining
Pseudomonas sp.
-
-
-
Pseudomonas sp. CBS-3
-
-
-

Reaction

Reaction Comment Organism Reaction ID
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.

Substrates and Products (Substrate)

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

Synonyms

Synonyms Comment Organism
4-CBA-CoA dehalogenase
-
Pseudomonas sp.