Literature summary for 3.8.1.7 extracted from

Zhang, W.; Wei, Y.; Luo, L.; Taylor, K.L.; Yang, G.; Dunaway-Mariano, D.; Benning, M.M.; Holden, H.M.
Histidine 90 function in 4-chlorobenzoyl-coenzyme A dehalogenase catalysis (2001), Biochemistry, 40, 13474-13482.

Search for more literature for 3.8.1.7

Crystallization (Commentary)

Crystallization (Comment)	Organism
purified recombinant mutant H90Q complexed with the substrate, 8% PEG 8000, 0.2 M potassium chloride, 50 mM CHES, pH 9.0, 5 mM NaN3, 4 °C, X-ray diffraction structure determination and analysis at 1.8 A resolution	Pseudomonas sp.

Protein Variants

Protein Variants	Comment	Organism
H90Q	site-directed mutagenesis, exchange of the active site H90, reduced formation of arylated enzyme intermediate, and 154fold reduction of arylated enzyme intermediate hydrolysis, active site structure	Pseudomonas sp.

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
additional information	-	additional information	kinetics	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	-	?

Organism

Organism	UniProt	Comment	Textmining
Pseudomonas sp.	A5JTM5	-	-

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, mechanism, attack of Asp145 on the C(4) of the substrates' benzoyl ring to form a Meisenheimer intermediate, followed by expulsion of chloride ion to form an arylated enzyme intermediate, and ester hydrolysis to form 4-hydroxybenzoyl-CoA, active site residue His90 is involved and important for the regeneration of the active enzyme	Pseudomonas sp.	a

Specific Activity [micromol/min/mg]

Specific Activity Minimum [µmol/min/mg]	Specific Activity Maximum [µmol/min/mg]	Comment	Organism
1.5	-	purified wild-type enzyme	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	-	?

Synonyms

Synonyms	Comment	Organism
4-CBA-CoA dehalogenase	-	Pseudomonas sp.
4-chlorobenzoyl-coenzyme A dehalogenase	-	Pseudomonas sp.

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
25	-	assay at	Pseudomonas sp.

Turnover Number [1/s]

Turnover Number Minimum [1/s]	Turnover Number Maximum [1/s]	Substrate	Comment	Organism	Structure
additional information	-	additional information	turnover rates for dormations of intermediates, wildtype and mutant	Pseudomonas sp.
0.0002	-	4-chlorobenzoyl-CoA	multiple turnovers, mutant H90Q, pH 7.5, 25°C	Pseudomonas sp.
0.016	-	4-chlorobenzoyl-CoA	single turnover, mutant H90Q, pH 7.5, 25°C	Pseudomonas sp.
0.7	-	4-chlorobenzoyl-CoA	multiple turnovers, wild-type enzyme, pH 7.5, 25°C	Pseudomonas sp.
2.3	-	4-chlorobenzoyl-CoA	single turnover, wild-type enzyme, pH 7.5, 25°C	Pseudomonas sp.

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
7.5	-	assay at	Pseudomonas sp.

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Release 2023.1 (January 2023)