Ligand benzoyl-CoA

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Basic Ligand Information

Molecular Structure
Picture of benzoyl-CoA (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C28H40N7O17P3S
benzoyl-CoA
VEVJTUNLALKRNO-TYHXJLICSA-N
Synonyms:
benzoyl-S-CoA, S-benzoate coenzyme A

Show all pahtways known for Show all pathways known for benzoyl-CoA

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (19 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
Benzoyl-CoA + NADPH + O2 = ?
show the reaction diagram
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benzoyl-CoA + oxidized ferredoxin + H2O = 4-hydroxybenzoyl-CoA + reduced ferredoxin
show the reaction diagram
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benzoyl-CoA + L-ornithine = CoA + N2,N5-dibenzoyl-L-ornithine
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benzoyl-CoA + anthranilate = CoA + N-benzoylanthranilate
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benzoyl-CoA + malonyl-CoA = 2,4,6-trihydroxybenzophenone + CoA + CO2
show the reaction diagram
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benzoyl-CoA + 10-deacetyl-2-debenzoylbaccatin III = CoA + 10-deacetylbaccatin III
show the reaction diagram
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3 malonyl-CoA + benzoyl-CoA = 4 CoA + 2,4,6-trihydroxybenzophenone + 3 CO2
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Benzoyl-CoA + H2O = Benzoate + CoA
show the reaction diagram
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In Vivo Product in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
phenylglyoxylate + NAD+ + CoA-SH = benzoyl-S-CoA + CO2 + NADH
show the reaction diagram
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ATP + benzoate + CoA = AMP + diphosphate + benzoyl-CoA
show the reaction diagram
-
-

Substrate in Enzyme-catalyzed Reactions (88 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
benzoyl-CoA + oxidized ferredoxin + H2O = 4-hydroxybenzoyl-CoA + reduced ferredoxin
show the reaction diagram
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benzoyl-CoA + L-glutamate = CoA + N-benzoyl-L-glutamate
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benzoyl-CoA + glycine = CoA + benzoylglycine
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benzoyl-CoA + monacolin J = ? + CoA
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benzoyl-CoA + malonyl-CoA = bisnoryangonin-type and p-coumaroyltriacetic acid lactone-type pyrones + CoA + CO2
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benzoyl-CoA + apo-[acyl-carrier protein] = CoA + benzoyl-[acyl-carrier protein]
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benzoyl-CoA + H2O = CoA + benzoate
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benzoyl-CoA + H2O = CoA + benzoate
show the reaction diagram
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Benzoyl-CoA + H2O = Benzoate + CoA
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (15 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
benzoylformate + CoA + NAD+ = benzoyl-CoA + CO2 + NADH
show the reaction diagram
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phenylglyoxylate + CoA + oxidized ferredoxin = benzoyl-CoA + CO2 + reduced ferredoxin
show the reaction diagram
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-
4-hydroxybenzoyl-CoA + acceptor = benzoyl-CoA + reduced acceptor
show the reaction diagram
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ATP + benzoate + CoA = AMP + diphosphate + benzoyl-CoA
show the reaction diagram
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ATP + benzoate + CoA = AMP + benzoyl-CoA + diphosphate
show the reaction diagram
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Benzoate + CoA + ATP = Benzoyl-CoA + AMP + diphosphate
show the reaction diagram
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Activator in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
slight activation
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Inhibitor in Enzyme-catalyzed Reactions (11 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
weak
-
benzoyl-CoA causes inhibition of BIS2 activity at concentrations above 0.015 mM; benzoyl-CoA causes inhibition of BIS3 activity at concentrations above 0.015 mM; benzoyl-CoA causes inhibition of BIS4 activity at concentrations above 0.015 mM
weak competitive
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product inhibitor
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product inhibition
-
competitive versus CoA
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3D Structure of Enzyme-Ligand-Complex (PDB) (4 results)

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (29 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
4.2
-
apparent value, at pH 8.0, temperature not specified in the publication; pH 8.0, temperature not specified in the publication
4.2
-
pH 8.0, temperature not specified in the publication
0.004
-
pH 7.5
13.9
-
wild-type, at room temperature

KM Value (76 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.03
-
pH 8, 22C, addition of the putative ring cleaving enzyme BoxC leads to a several-fold acceleration of the initial rate and completes conversion of benzoyl-CoA. Because of this complex behaviour of the oxygenase system, the apparent Km value for benzoyl-CoA can only be estimated from the time curve of benzoyl-CoA concentration in an assay mixture that contains BoxAB and the putative ring-cleaving enzyme BoxC. This curve shows a half-maximal rate at a benzoyl-CoA concentration of 0.03 mM
0.003
-
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0.3
-
-
0.272
-
pH 7.5
0.475
-
wild-type, at room temperature

Ki Value (2 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.17
-
with phenylacetyl-CoA as substrate
3
-
pH 7.5, 21C, versus CoA, recombinant enzyme

References & Links

Links to other databases for benzoyl-CoA

ChEBI
PubChem
ChEBI
PubChem