Ligand acetonitrile

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Basic Ligand Information

Molecular Structure
Picture of acetonitrile (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C2H3N
acetonitrile
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Synonyms:
acetonitril, acetonnitrile, CH3CN, methylcyanide

Roles as Enzyme Ligand

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

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
acetonitrile + 2 H2O = acetic acid + NH3
show the reaction diagram
-
acetonitrile + H2O = acetamide
show the reaction diagram
-

Substrate in Enzyme-catalyzed Reactions (9 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
methylcyanide + NADH + H+ + O2 = hydroxymethylcyanide + H2O + NAD+
show the reaction diagram
-
acetonitrile + H2O = ?
show the reaction diagram
-
acetonitrile + H2O = acetamide
show the reaction diagram
-

Product in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
(E/Z)-acetaldoxime = acetonitrile + H2O
show the reaction diagram
-

Activator in Enzyme-catalyzed Reactions (23 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
sVBPO showed an increase in activity in the presence of acetonitrile, which is not observed with nVBPO or rVBPO
-
10% v/v, 3.6fold activation
-
activates
-
activates
-
2.5fold activation at 5% v/v
-
8%, 2.4fold stimulation
-
20%, 176% activation
maximal increase in enzyme activity at solvent concentrations of 15% (v/v) with 4-nitrophenyl beta-D-fucopyranoside as substrate
-
slight activation at 5-10% v/v, inhibits at 1%
-
5% (v/v), 30 min at room temperature, 1.65fold activation
-

Inhibitor in Enzyme-catalyzed Reactions (78 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
120–125% activation after incubation for 25 h in the presence of 17% acetonitrile. High concentration (30%) result in enzyme inactivation to 5–30% of the initial values following 5 h incubation at 50°C
-
2.4% residual activity at 10% (v/v)
-
complete inhibition in buffer without NaCl and in buffer with 600 mM NaCl
-
10%, inactivation
-
88.5% inhibition at 30% concentration as co-solvent
-
in the presence of acetonitrile at 10% (v/v), the enzyme retains about 60% of the original activity. However, the enzyme exhibits nearly no activity in the presence of acetonitrile at 30% (v/v)
-
complete inhibition at 30% (v/v)
-
48% residual activity at 5% (v/v)
-
50% inhibition of isozyme UGT2B15 at 1%
-
20% v/v, complete inhibition
-
10% (v/v) acetonitrile reduces enzyme activity to about 60%
-
20% v/v, complete inhibition
-
about 30% residual activity at 10% (v/v)
-
43% residual activity in the presence of 90% (v/v) acetonitrile, after 60 min at 70°C
-
at 1% v/v
-
a competitive pseudo-inhibition is observed for 6% acetonitrile
-
strong inhibition
-
70% inhibition at 10% (vol/vol)
-
20%, 50% loss of activity
-
43% residual activity in the presence of 90% (v/v) acetonitrile, after 60 min at 70°C
-
inhibition at low concentrations
-
1% (v/v), about 55% loss of activity, 5% (v/v), about 90% loss of activity
-
about 55% residual activity at 10% (w/v)
-
20%, 38.6% loss of activity
-
20% complete loss of activity
-
10%, 26% inhibition
-
60.03% residual activity at 50% (v/v)
-
partial inhibition at 20% acetonitrile, a 5% aqueous acetonitrile solution less likely reduces the activity of the porous polymer monolith-immobilized trypsin
-
48% inhibition at 10%
-
mixed type
-
1% v/v, activation at 5-10% v/v
-
inactivates
-

Metals and Ions (2 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE

3D Structure of Enzyme-Ligand-Complex (PDB) (23 results)

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (2 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE

KM Value (6 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
11.26
-
-
11.26
-
pH 7.0, 37°C, partially purified enzyme

Ki Value (2 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
TABLE ID
2500
-
-
17745
120
-
-
32833

References & Links

Links to other databases for acetonitrile

ChEBI
PubChem
ChEBI
PubChem