Ligand tert-butanol

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Basic Ligand Information

Molecular Structure
Picture of tert-butanol (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C4H10O
tert-butanol
UKCSFKLWNHUBDY-BYPYZUCNSA-N
Synonyms:
2-Methyl-2-propanol, 2-Methylpropan-2-ol, t-butanol, tert-butyl-alcohol, tert-butyl alcohol, tert-butylalcohol, tertiary butanol
Pathway Source
Pathways

Roles as Enzyme Ligand

In Vivo Product in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
tert-butyl hydroperoxide + 2 GSH = tert-butyl alcohol + GSSG + H2O
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (8 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2-methyl-2-propanol + NAD+ = ? + NADH
show the reaction diagram
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2-methyl-2-propanol + O2 = ?
show the reaction diagram
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tert-butanol + O2 = tert-butanone + H2O2
show the reaction diagram
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sucrose + tert-butanol = D-fructose + tert-butyl alpha-D-glucoside
show the reaction diagram
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di-N-acetylchitobiose + 2-methyl-2-propanol = ?
show the reaction diagram
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2 rac-N-tert-butoxycarbonylphenylalanine ethyl thioester + 1-phenylmethanamine + tert-butanol = N-benzyl-Nalpha-(tert-butoxycarbonyl)-L-phenylalaninamide + (R)-N-tert-butoxycarbonylphenylalanine ethyl thioester + ?
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (42 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
L-ascorbic acid + tert-butylhydroperoxide = dehydroascorbate + tert-butylalcohol
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thioredoxin + tert-butyl hydroperoxide = thioredoxin disulfide + H2O + tert-butanol
show the reaction diagram
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methyl tert-butyl ether + H2O2 = formaldehyde + tert-butanol + H2O
show the reaction diagram
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tert-butyl octanoate + H2O = tert-butanol + octanoate
show the reaction diagram
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tertiary-butyl acetate + H2O = tert-butanol + acetate
show the reaction diagram
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tert-butylcarbamate + H2O = CO2 + NH3 + tert-butanol
show the reaction diagram
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Activator in Enzyme-catalyzed Reactions (8 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
activates ADH3
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increases maximal reaction rate
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strain 251, increases the yield of cyclodextrin
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activates
-
41% activation of recombinant refolded enzyme at 30% v/v
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about 6% activating at 10-30%
-
20% activation at 10% at 20-90°C
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up to 10% v/v, increase of the activity, higher concentrations lead to a drastic activity decrease, methoxycarbonyl-D-Nle-Gly-Arg-p-nitroanilide as substrate, rFIXa, alcohols modify the conformation of FIXa rendering the active-site cleft more easily accessible to tripeptide substrates with a hydrophobic residue in the P3-position

Inhibitor in Enzyme-catalyzed Reactions (13 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
50% (v/v), 92% loss of activity
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the cross-linked enzyme aggregate shows about 50% residual activity after incubation in tert-butanol for about 326 h
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33-66% residual activity at 10, 20 and 40% (v/v)
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Ki: 10 mM
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3D Structure of Enzyme-Ligand-Complex (PDB) (168 results)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

Ki Value (7 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
720
-
-
10
-
-
820
-
pH 7.5, 25°C
190
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pH 7.5, 25°C

References & Links

Links to other databases for tert-butanol

ChEBI
PubChem
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PubChem