Ligand Isobutyrate

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Basic Ligand Information

Molecular Structure
Picture of Isobutyrate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C4H8O2
Isobutyrate
BERBFZCUSMQABM-IEXPHMLFSA-N
Synonyms:
2-methylpropanoate, 2-Methylpropanoic acid, iso-butyrate, Isobutanoate, isobutyric acid, isobuytyrate


Show all pahtways known for Show all BRENDA pathways known for Isobutyrate

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 + isobutanoate = ADP + isobutanoyl phosphate
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
isobutyramide + H2O = isobutyrate + NH3
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (13 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
ATP + isobutyrate = ADP + isobutyryl phosphate
show the reaction diagram
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ATP + isobutanoate = ADP + isobutanoyl phosphate
show the reaction diagram
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acetyl-CoA + isobutyrate = acetate + isobutyryl-CoA
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isobutyrate + acetoacetyl-CoA = isobutyryl-CoA + acetoacetate
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ATP + isobutyrate + CoA = AMP + diphosphate + isobutyryl-CoA
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ATP + isobutyrate + CoA = ADP + phosphate + isobutyryl-CoA
show the reaction diagram
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ATP + isobutyrate + CoA = AMP + diphosphate + isobutyryl-CoA
show the reaction diagram
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ATP + isobutyrate + CoA = AMP + diphosphate + isobutyryl-CoA
show the reaction diagram
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ATP + isobutyrate + CoA = ADP + phosphate + isobutyryl-CoA
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (27 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
isobutyraldehyde + NAD+ + H2O = isobutyrate + NADH + H+
show the reaction diagram
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isobutanal + NAD+ + H2O = isobutyrate + NADH
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isobutyraldehyde + NAD+ + H2O = isobutyrate + NADH + H+
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isobutyraldehyde + H2O + O2 = isobutyric acid + H2O2
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2-oxoisovalerate + acyl-CoA + NAD+ = isobutyrate + CO2 + CoA + NADH + H+
show the reaction diagram
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isobutyraldehyde + H2O + oxidized benzyl viologen = isobutyrate + reduced benzyl viologen + H+
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isobutyraldehyde + 2,6-dichlorophenolindophenol + H2O = isobutyrate + reduced 2,6-dichlorophenolindophenol
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phenylthioisobutyrate + H2O = thiophenol + isobutyrate
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isobutyrylthiocholine + H2O = thiocholine + isobutyrate
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isobutyryl-CoA + H2O = CoA + isobutyrate
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N-isobutanoyl-L-methionine + H2O = isobutanoate + L-methionine
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N6-isobutyryl-L-lysine + H2O = L-lysine + isobutyrate
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6-(N-isobutanoyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol + H2O = 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol + isobutanoate
show the reaction diagram
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isobutyronitrile + H2O = isobutyric acid + NH3
show the reaction diagram
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2,4-diketo-5-methylhexanoate + H2O = pyruvate + isobutanoate
show the reaction diagram
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ADP + phosphate + isobutyryl-CoA = ATP + isobutyrate + CoA
show the reaction diagram
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Activator in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
activates
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Inhibitor in Enzyme-catalyzed Reactions (7 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
slight inhibition of the reverse reaction
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80% residual activity at 0.5 mM
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10 mM, complete 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) (4 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
-999
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pH 6.5, 55°C, kinetic constant according to Adair-Pauling kinetic model: 50.9/s

KM Value (9 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
420
-
carried out at various temperatures
4.3
-
pH 7.5, 30°C
14
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pH 7.5, 25°C
1.6
-
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-999
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pH 6.5, 55°C, kinetic constant according to Adair-Pauling kinetic model: 0.132 mMs

IC50 Value (2 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.018
-
IC50: 0.018 mM
280
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pH 7.0, 25°C

References & Links

Links to other databases for Isobutyrate

ChEBI
PubChem
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PubChem