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Literature summary extracted from

  • Luo, L.; Taylor, K.L.; Xiang, H.; Wei, Y.; Zhang, W.; Dunaway-Mariano, D.
    Role of active site binding interactions in 4-chlorobenzoyl-coenzyme A dehalogenase catalysis (2001), Biochemistry, 40, 15684-15692.
    View publication on PubMed

Cloned(Commentary)

EC Number Cloned (Comment) Organism
3.8.1.7 expression of wild-type and mutant enzymes in Escherichia coli Pseudomonas sp.

Protein Variants

EC Number Protein Variants Comment Organism
3.8.1.7 F64A site-directed mutagenesis, decreased kcat and slightly increased Km compared to the wild-type enzyme Pseudomonas sp.
3.8.1.7 F64P site-directed mutagenesis, highly decreased kcat compared to the wild-type enzyme, nearly inactive Pseudomonas sp.
3.8.1.7 G113A site-directed mutagenesis, decreased kcat and increased Km compared to the wild-type enzyme Pseudomonas sp.
3.8.1.7 R24K site-directed mutagenesis, increased kcat and increased Km compared to the wild-type enzyme Pseudomonas sp.
3.8.1.7 R24L site-directed mutagenesis, decreased kcat and increased Km compared to the wild-type enzyme Pseudomonas sp.
3.8.1.7 R257K site-directed mutagenesis, slightly decreased kcat and slightly increased Km compared to the wild-type enzyme Pseudomonas sp.
3.8.1.7 R257L site-directed mutagenesis, decreased kcat and increased Km compared to the wild-type enzyme Pseudomonas sp.
3.8.1.7 R67K site-directed mutagenesis, decreased kcat and slightly increased Km compared to the wild-type enzyme Pseudomonas sp.
3.8.1.7 R67L site-directed mutagenesis, expression in inclusion bodies Pseudomonas sp.

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.8.1.7 3'-AMP weak inhibitor Pseudomonas sp.
3.8.1.7 3'-dephospho-CoA
-
Pseudomonas sp.
3.8.1.7 4-Chlorobenzoate poor inhibitor Pseudomonas sp.
3.8.1.7 4-chlorobenzoyl-coenzyme A competitive Pseudomonas sp.
3.8.1.7 4-hydroxybenzoyl-3'-dephospho-CoA competitive Pseudomonas sp.
3.8.1.7 4-hydroxybenzoyl-CoA competitive Pseudomonas sp.
3.8.1.7 4-hydroxybenzoyl-dithio-CoA competitive Pseudomonas sp.
3.8.1.7 4-methylbenzoyl-3'-dephospho-CoA competitive Pseudomonas sp.
3.8.1.7 4-methylbenzoyl-CoA competitive Pseudomonas sp.
3.8.1.7 5'-ADP weak inhibitor Pseudomonas sp.
3.8.1.7 5'-AMP weak inhibitor Pseudomonas sp.
3.8.1.7 adenosine weak inhibitor Pseudomonas sp.
3.8.1.7 adenosine 3',5'-bisphosphate weak inhibitor Pseudomonas sp.
3.8.1.7 ATP weak inhibitor Pseudomonas sp.
3.8.1.7 CoA feedback inhibition Pseudomonas sp.
3.8.1.7 diphosphate weak inhibitor Pseudomonas sp.

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
3.8.1.7 additional information
-
additional information kinetics Pseudomonas sp.
3.8.1.7 0.0037
-
4-chlorobenzoyl-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.0052
-
4-chlorobenzoyl-CoA mutant F64A, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.0058
-
4-chlorobenzoyl-CoA mutant R257K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.0069
-
4-chlorobenzoyl-CoA mutant R67K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.014
-
4-chlorobenzoyl-CoA mutant G113A, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.02
-
4-chlorobenzoyl-3'-dephospho-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.021
-
4-chlorobenzoyl-CoA mutant R24K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.024
-
4-bromophenacyl-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.033
-
4-chlorobenzoyl-dithio-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.041
-
4-chlorobenzoyl-CoA mutant R24L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.07
-
4-chlorobenzoyl-CoA mutant R257L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.07
-
4-chlorobenzoyl-pantetheine wild-type enzyme, pH 7.5, 25°C, in presence of 1 mM 5'-ADP Pseudomonas sp.
3.8.1.7 0.11
-
4-chlorobenzoyl-CoA mutant G114A, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.31
-
4-chlorobenzoyl-epsilon-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.44
-
4-chlorobenzoyl-pantetheine phosphate wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 2
-
4-chlorobenzoyl-pantetheine above, wild-type enzyme, pH 7.5, 25°C 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. degradation in soil, pathway overview 4-hydroxybenzoyl-CoA + chloride
-
?

Organism

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

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, multistep 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 structure Pseudomonas sp.

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.8.1.7 4-bromophenacyl-CoA + H2O
-
Pseudomonas sp. 4-hydroxyphenacyl-CoA + bromide
-
?
3.8.1.7 4-chlorobenzoyl-3'-dephospho-CoA + H2O
-
Pseudomonas sp. 4-hydroxybenzoyl-3'-dephospho-CoA + chloride
-
?
3.8.1.7 4-chlorobenzoyl-CoA + H2O
-
Pseudomonas sp. 4-hydroxybenzoyl-CoA + chloride
-
?
3.8.1.7 4-chlorobenzoyl-CoA + H2O degradation in soil, pathway overview Pseudomonas sp. 4-hydroxybenzoyl-CoA + chloride
-
?
3.8.1.7 4-chlorobenzoyl-dithio-CoA + H2O
-
Pseudomonas sp. 4-hydroxybenzoyl-dithio-CoA + chloride
-
?
3.8.1.7 4-chlorobenzoyl-epsilon-CoA + H2O
-
Pseudomonas sp. 4-hydroxybenzoyl-epsilon-CoA + chloride
-
?
3.8.1.7 4-chlorobenzoyl-pantetheine + H2O very low activity Pseudomonas sp. 4-hydroxybenzoyl-pantetheine + chloride
-
?
3.8.1.7 4-chlorobenzoyl-pantetheine phosphate + H2O
-
Pseudomonas sp. 4-hydroxybenzoyl-pantetheine phosphate + chloride
-
?

Synonyms

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

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
3.8.1.7 25
-
assay at Pseudomonas sp.

Turnover Number [1/s]

EC Number Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
3.8.1.7 0.00001
-
4-chlorobenzoyl-CoA below, mutant F64P, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.001
-
4-chlorobenzoyl-pantetheine about, wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.002
-
4-chlorobenzoyl-CoA mutant G114A, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.003
-
4-chlorobenzoyl-dithio-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.005
-
4-chlorobenzoyl-CoA mutant G113A, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.007
-
4-chlorobenzoyl-epsilon-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.03
-
4-bromophenacyl-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.03
-
4-chlorobenzoyl-CoA mutant F64A, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.051
-
4-chlorobenzoyl-pantetheine phosphate wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.056
-
4-chlorobenzoyl-pantetheine wild-type enzyme, pH 7.5, 25°C, in presence of 1 mM 5'-ADP Pseudomonas sp.
3.8.1.7 0.14
-
4-chlorobenzoyl-CoA mutant R257L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.33
-
4-chlorobenzoyl-CoA mutant R24L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.38
-
4-chlorobenzoyl-CoA mutant R67K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.45
-
4-chlorobenzoyl-3'-dephospho-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.55
-
4-chlorobenzoyl-CoA mutant R257K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.6
-
4-chlorobenzoyl-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.95
-
4-chlorobenzoyl-CoA mutant R24K, pH 7.5, 25°C Pseudomonas sp.

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
3.8.1.7 7.5
-
assay at Pseudomonas sp.

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
3.8.1.7 0.0017
-
4-hydroxybenzoyl-CoA mutant R257K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.0024
-
4-hydroxybenzoyl-CoA mutant R24K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.0025
-
4-hydroxybenzoyl-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.0031
-
4-methylbenzoyl-CoA mutant R257K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.0042
-
4-methylbenzoyl-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.0062
-
4-hydroxybenzoyl-CoA mutant R67K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.011
-
4-methylbenzoyl-CoA mutant R24K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.0165
-
4-hydroxybenzoyl-CoA mutant R24L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.019
-
4-hydroxybenzoyl-CoA mutant R257L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.022
-
4-methylbenzoyl-3'-dephospho-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.04
-
4-hydroxybenzoyl-CoA mutant G113A, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.044
-
4-methylbenzoyl-CoA mutant G113A, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.046
-
4-methylbenzoyl-CoA mutant R24L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.05 0.1 4-hydroxybenzoyl-CoA mutant G114A, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.051
-
4-methylbenzoyl-CoA mutant R67K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.055
-
4-chlorobenzoyl-coenzyme A wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.069
-
4-hydroxybenzoyl-dithio-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.072
-
4-methylbenzoyl-CoA mutant R257L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.09
-
CoA mutant R257K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.14
-
CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.25
-
CoA mutant R24K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.52
-
CoA mutant R67K, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.66
-
CoA mutant R24L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 0.77
-
3'-dephospho-CoA wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 2.4
-
CoA mutant R257L, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 4.2
-
5'-ADP wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.
3.8.1.7 21
-
4-Chlorobenzoate wild-type enzyme, pH 7.5, 25°C Pseudomonas sp.