Ligand 4-Fluorobenzoate

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Basic Ligand Information

Molecular Structure
Picture of 4-Fluorobenzoate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H5FO2
4-Fluorobenzoate
BBYDXOIZLAWGSL-UHFFFAOYSA-M
Synonyms:
4-fluorobenzoic acid, p-fluorobenzoate, p-fluorobenzoic acid

Roles as Enzyme Ligand

In Vivo Product in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-fluorobenzoyl-CoA + H2O = 4-fluorobenzoate + CoA
show the reaction diagram
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4-fluorobenzonitrile + 2 H2O = 4-fluorobenzoic acid + NH3
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (6 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-fluorobenzoate + O2 + NADH = 4-fluoro-2-hydro-1,2-dihydroxybenzoate
show the reaction diagram
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4-Fluorobenzoate + reduced carbamoyl methyl viologen = 4-Fluorobenzaldehyde + carbamoyl methyl viologen
show the reaction diagram
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ATP + 4-fluorobenzoate + CoA = AMP + diphosphate + 4-fluorobenzoyl-CoA
show the reaction diagram
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ATP + 4-fluorobenzoate + CoA = AMP + 4-fluorobenzoyl-CoA + diphosphate
show the reaction diagram
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ATP + 4-fluorobenzoate + CoA = AMP + 4-fluorobenzoyl-CoA + diphosphate
show the reaction diagram
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4-Fluorobenzoate + CoA + ATP = 4-Fluorobenzoyl-CoA + AMP + diphosphate
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (11 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-fluorobenzaldehyde + O2 = 4-fluorobenzoic acid + H2O2
show the reaction diagram
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4-fluorobenzaldehyde + NAD+ + H2O = 4-fluorobenzoate + NADH + H+
show the reaction diagram
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p-fluorobenzaldehyde + NAD+ + H2O = p-fluorobenzoic acid + NADH + H+
show the reaction diagram
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4-fluorobenzaldehyde + NAD+ + H2O = 4-fluorobenzoate + NADH + H+
show the reaction diagram
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p-fluorobenzaldehyde + NAD+ + H2O = p-fluorobenzoic acid + NADH + H+
show the reaction diagram
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4-fluorobenzoyl-CoA + H2O = 4-fluorobenzoate + CoA
show the reaction diagram
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p-fluorobenzoyl-DL-alanine + H2O = 4-fluorobenzoate + DL-alanine
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (5 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE

3D Structure of Enzyme-Ligand-Complex (PDB) (1 result)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (1 result)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
22
-
pH 8.0, 31°C, recombinant wild-type enzyme

KM Value (2 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
1.4
-
-
0.0066
-
pH 8.0, 31°C, recombinant wild-type enzyme

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
1.3
-
-

IC50 Value (1 result)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.000679
-
pH 6.5, 41°C, recombinant enzyme

References & Links

Links to other databases for 4-Fluorobenzoate

ChEBI
PubChem
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PubChem