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BRENDA support

Ligand 3-chlorobenzoate

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Basic Ligand Information

Molecular Structure
Picture of 3-chlorobenzoate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H5ClO2
3-chlorobenzoate
LULAYUGMBFYYEX-UHFFFAOYSA-M
Synonyms:
3-chlorobenzoic acid, m-chlorobenzoate, m-chlorobenzoic acid
Pathway Source
Pathways
MetaCyc
3-chlorobenzoate degradation I (via chlorocatechol), 3-chlorobenzoate degradation II (via protocatechuate), 3-chlorobenzoate degradation III (via gentisate), 3-chlorotoluene degradation II, bupropion degradation

Roles as Enzyme Ligand

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

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EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3-chlorobenzonitrile + 2 H2O = 3-chlorobenzoate + NH3
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (13 results)

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EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3-chlorobenzoate + O2 + NADH + H+ = 3-chloro-2-hydro-1,2-dihydroxybenzoate + NAD+
show the reaction diagram
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3-chlorobenzoate + NADH + H+ + O2 = ? + NAD+
show the reaction diagram
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3-chlorobenzoate + NAD(P)H + O2 = ?
show the reaction diagram
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3-chlorobenzoate + [reduced NADPH-hemoprotein reductase] + O2 = 3-chloro-4-hydroxybenzoate + [oxidized NADPH-hemoprotein reductase] + H2O
show the reaction diagram
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3-chlorobenzoic acid + NADH + O2 = ? + NAD+ + H2O
show the reaction diagram
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3-Chlorobenzoate + reduced carbamoyl methyl viologen = 3-Chlorobenzaldehyde + carbamoyl methyl viologen
show the reaction diagram
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ATP + 3-chlorobenzoate + CoA = AMP + diphosphate + 3-chlorobenzoyl-CoA
show the reaction diagram
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ATP + 3-chlorobenzoate + CoA = AMP + diphosphate + 3-chlorobenzoyl-CoA
show the reaction diagram
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ATP + 3-chlorobenzoate = diphosphate + (3-chlorobenzoyl)adenylate
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (14 results)

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EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3-chlorobenzaldehyde + O2 = 3-chlorobenzoic acid + H2O2
show the reaction diagram
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3-chlorobenzaldehyde + NAD+ + H2O = 3-chlorobenzoate + NADH + 2 H+
show the reaction diagram
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m-chlorobenzaldehyde + NAD+ + H2O = m-chlorobenzoic acid + NADH + H+
show the reaction diagram
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3-chlorobenzaldehyde + NAD+ + H2O = 3-chlorobenzoate + NADH
show the reaction diagram
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m-chlorobenzaldehyde + NAD(P)+ + H2O = m-chlorobenzoate + NAD(P)H + H+
show the reaction diagram
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3-chlorobenzaldehyde + NAD+ + H2O = 3-chlorobenzoate + NADH + 2 H+
show the reaction diagram
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3-chlorobenzaldehyde + NAD+ + H2O = 3-chlorobenzoate + NADH + H+
show the reaction diagram
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(2E,4E)-6-(3-chlorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid + H2O = 3-chlorobenzoate + (2E)-2-hydroxypenta-2,4-dienoic acid
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (5 results)

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EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
D-phenylglycine oxidation
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12.5 mM, 85% inhibition
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3D Structure of Enzyme-Ligand-Complex (PDB) (8 results)

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Enzyme Kinetic Parameters

kcat Value (Turnover Number) (3 results)

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EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
3
-
pH 7, 25°C
6.17
-
-
0.33
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pH 8.0, 31°C, recombinant wild-type enzyme

KM Value (5 results)

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EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.113
-
pH 7, 25°C
0.127
-
-
0.29
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pH 8.0, 31°C, recombinant wild-type enzyme

Ki Value (1 result)

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EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.15
-
-

References & Links

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Links to other databases for 3-chlorobenzoate

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ChEBI
PubChem
ChEBI
PubChem