Ligand 2-Fluorobenzoate

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Basic Ligand Information

Molecular Structure
Picture of 2-Fluorobenzoate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H5FO2
2-Fluorobenzoate
QIAFMBKCNZACKA-UHFFFAOYSA-N
Synonyms:
2-fluorobenzoic acid, o-fluorobenzoate, o-fluorobenzoic acid

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
ATP + 2-fluorobenzoate + CoA = AMP + diphosphate + 2-fluorobenzoyl-CoA
show the reaction diagram
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In Vivo Product in Enzyme-catalyzed Reactions (1 result)

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

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2-fluorobenzoate + NADH + O2 = catechol + fluoride + NAD+ + CO2
show the reaction diagram
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2-fluorobenzoate + [reduced NADPH-hemoprotein reductase] + O2 = 2-fluoro-4-hydroxybenzoate + [oxidized NADPH-hemoprotein reductase] + H2O
show the reaction diagram
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ATP + 2-fluorobenzoate + CoA = AMP + diphosphate + 2-fluorobenzoyl-CoA
show the reaction diagram
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ATP + 2-fluorobenzoate + CoA = AMP + 2-fluorobenzoyl-CoA + diphosphate
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (9 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2-fluorobenzaldehyde + NAD+ + H2O = 2-fluorobenzoate + NADH + H+
show the reaction diagram
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o-fluorobenzaldehyde + NAD+ + H2O = o-fluorobenzoic acid + NADH + H+
show the reaction diagram
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2-fluorobenzaldehyde + NAD+ + H2O = 2-fluorobenzoate + NADH + H+
show the reaction diagram
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o-fluorobenzaldehyde + NAD+ + H2O = o-fluorobenzoic acid + NADH + H+
show the reaction diagram
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2-fluorobenzoyl-CoA + H2O = 2-fluorobenzoate + CoA
show the reaction diagram
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2-fluorobenzonitrile + H2O = 2-fluorobenzoic acid + NH3
show the reaction diagram
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2-fluorobenzoyl-DL-alanine + H2O = 2-fluorobenzoate + beta-alanine
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (2 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
4.33
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34
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pH 8.0, 31°C, recombinant wild-type enzyme

KM Value (6 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.097
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Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
1.4
-
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References & Links

Links to other databases for 2-Fluorobenzoate

ChEBI
PubChem
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PubChem