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Ligand acetonitrile

Basic Ligand Information

Molecular Structure

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Roles as Enzyme Ligand

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

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Show Natural Substrate (2 entries)

EC NUMBER

PROVEN IN VIVO REACTION

REACTION DIAGRAM

LITERATURE

ENZYME 3D STRUCTURE

3.5.5.1

acetonitrile + 2 H2O = acetic acid + NH3

719103

-

4.2.1.84

acetonitrile + H2O = acetamide

714580

-

Substrate in Enzyme-catalyzed Reactions (10 results)

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Show Substrate (10 entries)

EC NUMBER

REACTION

REACTION DIAGRAM

LITERATURE

ENZYME 3D STRUCTURE

1.14.13.25

methylcyanide + NADH + H+ + O2 = hydroxymethylcyanide + H2O + NAD+

711260

-

3.5.5.1

acetonitrile + 2 H2O = acetic acid + NH3

719103, 719102, 720279

-

3.5.5.1

acetonitrile + H2O = acetate + NH3

735075, 733919

-

3.5.5.1

acetonitrile + H2O = acetic acid + NH3

209747, 651610, 734501, 756271, 757020, 755874

-

3.5.5.7

acetonitrile + 2 H2O = acetic acid + NH3

757415

-

3.5.5.7

acetonitrile + H2O = ?

710984

-

3.5.5.7

acetonitrile + H2O = acetate + NH3

32506, 209747, 655149, 733526, 733919

-

3.5.5.7

acetonitrile + H2O = acetic acid + NH3

687941

-

3.5.5.1

3 entries

3.5.5.7

4 entries

4.2.1.66

acetonitrile + H2O = ?

651378

-

4.2.1.84

acetonitrile + H2O = acetamide

648422, 648444, 648437, 648425, 648439, 648434, 648426, 676087, 671557, 699597, 714580, 729896, 728998, 749286, 648453, 768959

-

Product in Enzyme-catalyzed Reactions (5 results)

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Show Product (5 entries)

EC NUMBER

REACTION

REACTION DIAGRAM

LITERATURE

ENZYME 3D STRUCTURE

3.8.1.5

2-bromoacetonitrile + H2O = acetonitrile + bromide

-

-

3.8.1.5

2-chloroacetonitrile + H2O = acetonitrile + chloride

-

-

4.8.1.2

(1E)-N-hydroxyethanimine = acetonitrile + H2O

-

-

4.8.1.2

(E/Z)-acetaldoxime = acetonitrile + H2O

648793

-

3.8.1.5

2 entries

4.8.1.2

2 entries

4.8.1.4

(1E)-N-hydroxyethanimine = acetonitrile + H2O

-

-

Activator in Enzyme-catalyzed Reactions (25 results)

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Show Activating Compound (25 entries)

EC NUMBER

COMMENTARY

LITERATURE

ENZYME 3D STRUCTURE

1.1.1.1

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

719428

-

1.1.1.1

the enzyme is activated by water-miscible organic solvents

727064

-

1.1.1.1

2 entries

1.11.1.18

sVBPO showed an increase in activity in the presence of acetonitrile, which is not observed with nVBPO or rVBPO

676980

-

1.11.2.1

5% (v/v) acetonitrile boosts the activity of the enzyme by up to 6fold

763786

-

1.13.11.27

10% v/v, 3.6fold activation

395377

-

1.17.3.2

-

702182

-

1.4.1.2

activates

391589

-

1.4.1.4

activates

391642

-

2.3.1.97

2.5fold activation at 5% v/v

487764

-

2.4.1.4

1%, activation to 111.07% of control

777800

-

2.7.1.77

8%, 2.4fold stimulation

641996

-

3.1.1.1

15% v/v, 110% of initial activity, 30% v/v, 87% of initial activity

677663

4BZZ, 3D-view

3.1.1.1

15% v/v, 110% of initial activity, 30% v/v, 87% of initial activity

677663

4C01, 3D-view

3.1.1.1

activates isoenzyme I, no increase in activity with isoenzyme V

171000

4BZZ, 3D-view

3.1.1.1

activates isoenzyme I, no increase in activity with isoenzyme V

171000

4C01, 3D-view

3.1.1.1

4 entries

3.1.1.20

-

730219

-

3.2.1.21

20%, 176% activation

655757

1V03, 3D-view

3.2.1.B26

maximal increase in enzyme activity at solvent concentrations of 15% (v/v) with 4-nitrophenyl beta-D-fucopyranoside as substrate

724154

-

3.3.2.11

activates at 3% v/v

662082

-

3.3.2.11

activates, maximal at 6.25% v/v

660783

-

3.3.2.11

maximal enzyme activity at 6.25% v/v

661023

-

3.3.2.11

maximal enzyme activity at 6.25% v/v, 19% of maximal activity at 1.25% v/v, 50% of maximal activity at 12.5% v/v, no activity at 18.8% v/v

660782

-

3.3.2.11

4 entries

3.4.21.64

-

653845

1CNM, 3D-view

3.4.24.33

slight activation at 5-10% v/v, inhibits at 1%

31206

-

3.5.1.11

5% (v/v), 30 min at room temperature, 1.65fold activation

753864

-

Inhibitor in Enzyme-catalyzed Reactions (115 results)

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Show Inhibitors (115 entries)

EC NUMBER

COMMENTARY

LITERATURE

ENZYME 3D STRUCTURE

1.1.1.1

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

719428

-

1.1.1.184

37.7% residual activity at 5% (v/v)

760245

-

1.1.1.270

-

726098

-

1.1.1.4

2.4% residual activity at 10% (v/v)

739127

-

1.1.1.71

complete inhibition in buffer without NaCl and in buffer with 600 mM NaCl

726712

-

1.10.3.1

about 30% residual activity is observed in presence of 10 % (v/v) acetonitrile

745430

-

1.10.3.1

the enzyme remains 50-55% of its original activity (no solvent present) in up to 20% (v/v) acetonitrile

766935

-

1.10.3.2

4.5% (v/v) 50% inhibition

695839

-

1.10.3.2

complete inhibition at 50% or above

726355

-

1.10.3.2

completely inhibits enzyme activity

723989

-

1.10.3.1

2 entries

1.10.3.2

3 entries

1.11.1.19

less than 5% residual activity at 40% (v/v)

764606

-

1.11.1.7

88.0% residual activity at 60% (v/v)

698420

-

1.11.1.7

about 98% activity is lost for native HRP after incubation in 50% (v/v) acetonitrile at 35°C for 3 h, native HRP only possess less than 20% activity in 30% (v/v) acetonitrile

696482

-

1.11.1.7

2 entries

1.13.11.60

10%, inactivation

285249

-

1.14.13.92

88.5% inhibition at 30% concentration as co-solvent

675467

-

1.2.1.12

inhibits about 90% at 15%

762579

-

1.3.3.5

69.02% residual activity at 50% (v/v)

765695

-

1.4.1.20

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)

743108

-

1.4.3.19

complete inhibition at 30% (v/v)

724506

-

2.3.2.13

48% residual activity at 5% (v/v)

720978

-

2.4.1.101

storage in acetonitrile (10% v/v) drastically reduces activity

777572

-

2.4.1.149

-

638578

-

2.4.1.17

50% inhibition of isozyme UGT2B15 at 1%

658524

-

2.4.1.22

20% v/v, complete inhibition

675468

-

2.4.1.344

addition of 5%, 10% and 15% decrease the activity by 48%, 58% and 65% respectively

777573

-

2.4.1.4

20%, inhibition to 52.88% of control

777800

-

2.4.1.41

10% (v/v) acetonitrile reduces enzyme activity to about 60%

736207

-

2.4.1.69

addition of 5%, 10% and 15% of acetonitrile decrease the activity by 48%, 58% and 65% respectively

777573

-

2.4.1.90

20% v/v, complete inhibition

675468

-

2.4.2.5

30% inhibition at 20% v/v

759220

-

2.6.1.42

over 90% inhibition at 20-30%

758848

-

2.6.1.B21

over 90% inhibition at 20-30%; strong inhibition at 20-30%

758848

-

3.1.1.1

10% (w/v), 61% inhibition; 5% (v/v), 61% inhibition

724578

4BZZ, 3D-view

3.1.1.1

10% (w/v), 61% inhibition; 5% (v/v), 61% inhibition

724578

4C01, 3D-view

3.1.1.1

15% v/v, 1.8fold activation. 30% v/v, 32% loss of activity

729856

4BZZ, 3D-view

3.1.1.1

15% v/v, 1.8fold activation. 30% v/v, 32% loss of activity

729856

4C01, 3D-view

3.1.1.1

20% (v/v), complete loss of activity, wild-type enzyme and mutant enzymes V138G and V138G/L200R

729051

4BZZ, 3D-view

3.1.1.1

20% (v/v), complete loss of activity, wild-type enzyme and mutant enzymes V138G and V138G/L200R

729051

4C01, 3D-view

3.1.1.1

29.6% residual activity at 30% (v/v)

771014

4BZZ, 3D-view

3.1.1.1

29.6% residual activity at 30% (v/v)

771014

4C01, 3D-view

3.1.1.1

82.85% residual activity at 10% (v/v)

773072

4BZZ, 3D-view

3.1.1.1

82.85% residual activity at 10% (v/v)

773072

4C01, 3D-view

3.1.1.1

89% inhibition of BioHe at 30%

709496

4BZZ, 3D-view

3.1.1.1

89% inhibition of BioHe at 30%

709496

4C01, 3D-view

3.1.1.1

97% inhibition of BioHs at 30%

709496

4BZZ, 3D-view

3.1.1.1

97% inhibition of BioHs at 30%

709496

4C01, 3D-view

3.1.1.1

about 65% residual activity at 15% (v/v)

771519

4BZZ, 3D-view

3.1.1.1

about 65% residual activity at 15% (v/v)

771519

4C01, 3D-view

3.1.1.1

about 8% residual activity at 10% (v/v)

768699

4BZZ, 3D-view

3.1.1.1

about 8% residual activity at 10% (v/v)

768699

4C01, 3D-view

3.1.1.1

inactivation

650677

4BZZ, 3D-view

3.1.1.1

inactivation

650677

4C01, 3D-view

3.1.1.1

20 entries

3.1.1.101

30%

749675

-

3.1.1.108

about 30% residual activity at 10% (v/v)

753524

-

3.1.1.2

43% residual activity in the presence of 90% (v/v) acetonitrile, after 60 min at 70°C

692889

-

3.1.1.20

at 1% v/v

749445

-

3.1.1.28

-

80792

-

3.1.1.3

-

663679

-

3.1.1.3

60% inhibition of recombinant refolded enzyme at 30% v/v

666825

-

3.1.1.3

about 99% inhibition at 1% (v/v)

714509

-

3.1.1.3

inhibitory at 5% (v/v)

692424

-

3.1.1.3

4 entries

3.1.1.5

-

750773

-

3.1.1.7

a competitive pseudo-inhibition is observed for 6% acetonitrile

708472

-

3.1.1.73

14% inhibition at 1%

769886

-

3.1.1.73

strong inhibition

729786

-

3.1.1.73

2 entries

3.1.1.74

over 90% inhibition at 75% v/v

772563

-

3.1.1.75

70% inhibition at 10% (vol/vol)

730744

-

3.1.1.86

50%, 22.7% relative activity as compared to activity in the absence of the reagent

775546

-

3.1.26.4

20%, 50% loss of activity

134403

-

3.1.3.25

-

114238

-

3.1.4.3

30% (v/v), 70.3% inhibition to % of control

771977

-

3.1.4.3

30% (v/v), inhibition to 30.6% of control

771224

-

3.1.4.3

2 entries

3.1.8.1

43% residual activity in the presence of 90% (v/v) acetonitrile, after 60 min at 70°C

692889

-

3.2.1.10

0.7% residual activity at 20% (v/v)

769511

-

3.2.1.14

complete inhibition at 25% (v/v)

750770

-

3.2.1.14

complete inhibition at 25%(v/v)

750244

-

3.2.1.14

2 entries

3.2.1.38

inhibition at low concentrations

136321

-

3.2.1.4

11.4% inhibition at 5%

750080

-

3.2.1.4

10% (v/v), more than 50% loss of activity

773523

-

3.2.1.4

10% v/v, 89% loss of activity

680965

-

3.2.1.4

3 entries

3.2.1.40

1% (v/v), about 55% loss of activity, 5% (v/v), about 90% loss of activity

749441

-

3.2.1.73

-

768668

-

3.2.1.78

about 55% residual activity at 10% (w/v)

750162

-

3.2.1.98

20%, 38.6% loss of activity

749651

-

3.3.2.10

89% loss of activity at 5% acetonitrile

208928

-

3.3.2.10

hydration of trans-stilbene oxide

208916

-

3.3.2.10

2 entries

3.4.11.14

20% complete loss of activity

647030

-

3.4.11.B3

10%, 26% inhibition

718953

-

3.4.21.25

60.03% residual activity at 50% (v/v)

732844

-

3.4.21.4

partial inhibition at 20% acetonitrile, a 5% aqueous acetonitrile solution less likely reduces the activity of the porous polymer monolith-immobilized trypsin

695565

-

3.4.21.50

-

36618

-

3.4.21.62

high concentrations of acetonitrile significantly decrease the enzyme activity by over 60%, most likely due to disrupting the enzyme structural integrity

754435

1BE6, 3D-view

3.4.21.62

high concentrations of acetonitrile significantly decrease the enzyme activity by over 60%, most likely due to disrupting the enzyme structural integrity

754435

1BFK, 3D-view

3.4.21.62

high concentrations of acetonitrile significantly decrease the enzyme activity by over 60%, most likely due to disrupting the enzyme structural integrity

754435

1SCB, 3D-view

3.4.21.62

high concentrations of acetonitrile significantly decrease the enzyme activity by over 60%, most likely due to disrupting the enzyme structural integrity

754435

2WUV, 3D-view

3.4.21.62

high concentrations of acetonitrile significantly decrease the enzyme activity by over 60%, most likely due to disrupting the enzyme structural integrity

754435

2WUW, 3D-view

3.4.21.62

-

29425

1BE6, 3D-view

3.4.21.62

-

29425

1BFK, 3D-view

3.4.21.62

-

29425

1SCB, 3D-view

3.4.21.62

-

29425

2WUV, 3D-view

3.4.21.62

-

29425

2WUW, 3D-view

3.4.21.62

10 entries

3.4.21.63

48% inhibition at 10%

754408

-

3.4.21.66

-

774439

-

3.4.21.66

-

769930

-

3.4.21.66

2 entries

3.4.22.10

mixed type

81460

-

3.4.24.28

15% inhibition at 10%

776216

-

3.4.24.33

1% v/v, activation at 5-10% v/v

31206

-

3.5.1.137

20% residual activity in 14% (v/v) acetonitrile

763289

-

3.5.1.2

63% residual activity at 10% (w/v)

772116

-

3.5.1.4

5% v/v, 93% inhibition; 93% decreased activity at 5% (v/v)

684607

-

3.5.1.4

Ki: 120 mM

209124

-

3.5.1.4

2 entries

3.5.5.1

5% (v/v), about 50% loss of activity, 50% (v/v), about 95% loss of activity

758526

-

3.8.1.2

in acetonitrile, the activity of the enzyme is drastically reduced to 20% in the presence of 10% (v/v). It is completely inhibited between 20% and 30% (v/v) of acetonitrile, and it increases again for higher concentrations tested, with a stabilization around 20% of residual activity in the presence of 60%-80% (v/v) of acetonitrile

779216

-

4.1.2.42

inactivates

665293

-

5.4.99.16

10%, strong inhibition

775612

-

Metals and Ions (2 results)

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Show Metals Ions (2 entries)

EC NUMBER

COMMENTARY

LITERATURE

ENZYME 3D STRUCTURE

3.1.1.1

15% v/v, 1.8fold activation. 30% v/v, 32% loss of activity

729856

4BZZ, 3D-view

3.1.1.1

15% v/v, 1.8fold activation. 30% v/v, 32% loss of activity

729856

4C01, 3D-view

3.1.1.1

2 entries

3D Structure of Enzyme-Ligand-Complex (PDB) (84 results)

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Show 3D Structure of Enzyme-Ligand-Complex (PDB) (84 entries)

EC NUMBER

ENZYME 3D STRUCTURE

1.14.16.4

5TPG, 3D-view

2.7.11.1

6XWE, 3D-view

3.1.1.1

4BZZ, 3D-view

3.1.1.1

4C01, 3D-view

3.1.1.1

4BZZ, 3D-view

3.1.1.1

4C01, 3D-view

3.1.1.1

4BZZ, 3D-view

3.1.1.1

4C01, 3D-view

3.1.1.1

4BZZ, 3D-view

3.1.1.1

4C01, 3D-view

3.1.1.1

4BZZ, 3D-view

3.1.1.1

4C01, 3D-view

3.1.1.4

2OTH, 3D-view

3.1.1.4

2PMJ, 3D-view

3.1.1.4

2PYC, 3D-view

3.1.1.4

4EIX, 3D-view

3.1.1.4

2OTH, 3D-view

3.1.1.4

2PMJ, 3D-view

3.1.1.4

2PYC, 3D-view

3.1.1.4

4EIX, 3D-view

3.1.1.4

2OTH, 3D-view

3.1.1.4

2PMJ, 3D-view

3.1.1.4

2PYC, 3D-view

3.1.1.4

4EIX, 3D-view

3.1.1.4

2OTH, 3D-view

3.1.1.4

2PMJ, 3D-view

3.1.1.4

2PYC, 3D-view

3.1.1.4

4EIX, 3D-view

3.1.1.4

2OTH, 3D-view

3.1.1.4

2PMJ, 3D-view

3.1.1.4

2PYC, 3D-view

3.1.1.4

4EIX, 3D-view

3.2.1.17

2LYO, 3D-view

3.2.1.17

3LYO, 3D-view

3.2.1.17

2LYO, 3D-view

3.2.1.17

3LYO, 3D-view

3.2.1.17

2LYO, 3D-view

3.2.1.17

3LYO, 3D-view

3.2.1.17

2LYO, 3D-view

3.2.1.17

3LYO, 3D-view

3.2.1.17

2LYO, 3D-view

3.2.1.17

3LYO, 3D-view

3.1.1.1

10 entries

3.1.1.4

20 entries

3.2.1.17

10 entries

3.2.1.21

1V03, 3D-view

3.2.2.22

1F8Q, 3D-view

3.4.21.62

1BE6, 3D-view

3.4.21.62

1BFK, 3D-view

3.4.21.62

1SCB, 3D-view

3.4.21.62

2WUV, 3D-view

3.4.21.62

2WUW, 3D-view

3.4.21.62

1BE6, 3D-view

3.4.21.62

1BFK, 3D-view

3.4.21.62

1SCB, 3D-view

3.4.21.62

2WUV, 3D-view

3.4.21.62

2WUW, 3D-view

3.4.21.62

1BE6, 3D-view

3.4.21.62

1BFK, 3D-view

3.4.21.62

1SCB, 3D-view

3.4.21.62

2WUV, 3D-view

3.4.21.62

2WUW, 3D-view

3.4.21.62

1BE6, 3D-view

3.4.21.62

1BFK, 3D-view

3.4.21.62

1SCB, 3D-view

3.4.21.62

2WUV, 3D-view

3.4.21.62

2WUW, 3D-view

3.4.21.62

1BE6, 3D-view

3.4.21.62

1BFK, 3D-view

3.4.21.62

1SCB, 3D-view

3.4.21.62

2WUV, 3D-view

3.4.21.62

2WUW, 3D-view

3.4.21.62

25 entries

3.4.21.64

1CNM, 3D-view

3.4.21.89

3IIQ, 3D-view

3.4.24.27

1FJU, 3D-view

3.5.4.4

2PGF, 3D-view

3.5.4.4

2PGR, 3D-view

3.5.4.4

2PGF, 3D-view

3.5.4.4

2PGR, 3D-view

3.5.4.4

2PGF, 3D-view

3.5.4.4

2PGR, 3D-view

3.5.4.4

2PGF, 3D-view

3.5.4.4

2PGR, 3D-view

3.5.4.4

2PGF, 3D-view

3.5.4.4

2PGR, 3D-view

3.5.4.4

10 entries

4.2.1.1

2FOV, 3D-view

4.2.3.146

6GGI, 3D-view

Enzyme Kinetic Parameters

k_cat Value (Turnover Number) (2 results)

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Show Turnover Number (2 entries)

EC NUMBER

TURNOVER NUMBER [1/S]

TURNOVER NUMBER MAXIMUM [1/S]

COMMENTARY

LITERATURE

4.2.1.84

12.4

-

-

648453

4.2.1.84

41

-

+/- 0.9, 10 mM HEPES, pH 7.5, 37°C

676087

4.2.1.84

2 entries

K_M Value (6 results)

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Show KM Value (6 entries)

EC NUMBER

KM VALUE [MM]

KM VALUE MAXIMUM [MM]

COMMENTARY

LITERATURE

3.5.5.1

11.26

-

-

209747

3.5.5.7

11.26

-

pH 7.0, 37°C, partially purified enzyme

209747

4.2.1.84

5.4

-

+/- 0.3, 10 mM HEPES, pH 7.5, 37°C, Michaelis-Menten behavior at acetonitrile concentrations from 0.1 mM to 50 mM

676087

4.2.1.84

5.78

-

pH 7, 30°C

648422

4.2.1.84

12.5

-

pH 7, 25ºC

648434

4.2.1.84

25

-

pH 7, 30°C

648426

4.2.1.84

4 entries

K_i Value (2 results)

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Show KI Value (2 entries)

EC NUMBER

KI VALUE [MM]

KI VALUE MAXIMUM [MM]

COMMENTARY

LITERATURE

3.1.1.7

2500

-

-

708472

3.5.1.4

120

-

-

209124

References & Links

Literature References (169)

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Show Reference (169 entries)

BRENDA REFERENCE ID

PUBMED ID

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AUTHORS

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