Ligand 4-chlorobenzoic acid

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Basic Ligand Information

Molecular Structure
Picture of 4-chlorobenzoic acid (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H5ClO2
4-chlorobenzoic acid
XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Synonyms:
4-chlorbenzoate, 4-Chlorobenzoate, p-Chlorobenzoate, p-Chlorobenzoic acid

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (5 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-chlorobenzoate + H2O = 4-hydroxybenzoate + Cl-
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

Substrate in Enzyme-catalyzed Reactions (15 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-chlorobenzoate + [reduced NADPH-hemoprotein reductase] + O2 = ?
show the reaction diagram
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4-chlorobenzoic acid + NADH + O2 = ? + NAD+ + H2O
show the reaction diagram
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4-Chlorobenzoate + reduced carbamoyl methyl viologen = 4-Chlorobenzaldehyde + carbamoyl methyl viologen
show the reaction diagram
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4-chlorobenzoate + H2O = 4-hydroxybenzoate + Cl-
show the reaction diagram
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4-chlorobenzoate + H2O = 4-hydroxybenzoate + chloride
show the reaction diagram
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ATP + 4-chlorobenzoate + CoA = AMP + diphosphate + 4-chlorobenzoyl-CoA
show the reaction diagram
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ATP + 4-chlorobenzoate + CoA = AMP + diphosphate + 4-chlorobenzoyl-CoA
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (28 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-chlorobenzaldehyde + O2 = 4-chlorobenzoic acid + H2O2
show the reaction diagram
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4-chlorobenzaldehyde + NADH + O2 = 4-chlorobenzoate + NAD+ + H2O
show the reaction diagram
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4-chlorobenzaldehyde + NAD+ + H2O = 4-chlorobenzoate + NADH
show the reaction diagram
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p-chlorobenzaldehyde + NAD+ + H2O = p-chlorobenzoic acid + NADH + H+
show the reaction diagram
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4-chlorobenzaldehyde + NAD+ + H2O = 4-chlorobenzoate + NADH + 2 H+
show the reaction diagram
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4-chlorobenzoyl-CoA + H2O = CoA + 4-chlorobenzoate
show the reaction diagram
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4-Chlorobenzoyl-CoA + H2O = 4-Chlorobenzoate + CoA
show the reaction diagram
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p-chlorobenzoyl-DL-alanine + H2O = 4-chlorbenzoate + DL-alanine
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4-chlorophenyl acetonitrile + H2O = 4-chlorobenzoic acid + NH3
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beta-(4-chlorobenzoyl)-DL-alanine + H2O = 4-chlorobenzoate + beta-alanine
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(2E,4E)-2-hydroxy-6-(4-chlorophenyl)-6-oxohexa-2,4-dienoic acid + H2O = 4-chlorobenzoate + (2E)-2-hydroxypenta-2,4-dienoic acid
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (6 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
0.5 mM, 42% inhibition
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3D Structure of Enzyme-Ligand-Complex (PDB) (2 results)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (10 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
0.123
-
-
0.29
-
pH 8.0, 31°C, recombinant wild-type enzyme

KM Value (15 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.12
-
-
0.083
-
pH 8.0, 31°C, recombinant wild-type enzyme

Ki Value (2 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.7
-
-
21
-
wild-type enzyme, pH 7.5, 25°C

References & Links

Links to other databases for 4-chlorobenzoic acid

ChEBI
PubChem
ChEBI
PubChem