Ligand squalene

Please wait a moment until all data is loaded. This message will disappear when all data is loaded.

Basic Ligand Information

Molecular Structure
Picture of squalene (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C30H50
squalene
YYGNTYWPHWGJRM-AAJYLUCBSA-N
Synonyms:
2,6,10,15,19,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaene, C30 squalene


Show all pahtways known for Show all BRENDA pathways known for squalene

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (17 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
PROVEN IN VIVO REACTION
ENZYME 3D STRUCTURE
show the reaction diagram
squalene + H2O = tetrahymanol
-
show the reaction diagram
squalene + H2O = hopan-22-ol
-
show the reaction diagram
squalene = 8alpha-hydroxypolypoda-13,17,21-triene
-

In Vivo Product in Enzyme-catalyzed Reactions (9 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
PROVEN IN VIVO REACTION
ENZYME 3D STRUCTURE
-
show the reaction diagram
presqualene diphosphate + NADPH + H+ = squalene + diphosphate + NADP+
-
-
show the reaction diagram
presqualene diphosphate + NADPH + H+ = squalene + diphosphate + NADP+
-
-
show the reaction diagram
presqualene diphosphate + NADPH + H+ = squalene + NADP+ + diphosphate
-
-
show the reaction diagram
2 (2E,6E)-farnesyl diphosphate + NADPH + H+ = squalene + 2 diphosphate + NADP+
-
-
show the reaction diagram
hopan-22-ol = squalene + H2O
-

Substrate in Enzyme-catalyzed Reactions (27 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
REACTION
ENZYME 3D STRUCTURE
show the reaction diagram
squalene + H2O = hopan-22-ol
-
show the reaction diagram
squalene = 8alpha-hydroxypolypoda-13,17,21-triene
-
show the reaction diagram
squalene = dammara-20,24-diene
-
show the reaction diagram
squalene = ?
-

Product in Enzyme-catalyzed Reactions (20 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
REACTION
ENZYME 3D STRUCTURE
-
show the reaction diagram
hydroxysqualene + FADH2 = squalene + FAD + H2O
-
-
show the reaction diagram
presqualene diphosphate + NADPH + H+ = squalene + diphosphate + NADP+
-
-
show the reaction diagram
presqualene diphosphate + NADPH + H+ = squalene + diphosphate + NADP+
-
-
show the reaction diagram
presqualene diphosphate + NADPH + H+ = squalene + NADP+ + diphosphate
-
-
show the reaction diagram
hopan-22-ol = squalene + H2O
-

Inhibitor in Enzyme-catalyzed Reactions (3 results)

COMMENTARY
EC NUMBER
LITERATURE
ENZYME 3D STRUCTURE
IC50 is 0.0012 mM
-
1 mM, 10% inhibition

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (45 results)

COMMENTARY
EC NUMBER
LITERATURE
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
-
0.0183
-
pH 7.4, 37°C, recombinant His-tagged wild-type enzyme
0.076
-
-
0.0055
-
N-terminal trucated recombinant enzyme
0.0683
-
pH 6.0, 45°C, mutant F437A
0.49
-
pH 6.0, 45°C, wild-type enzyme
0.163
-
pH 6.0, 45°C, mutant Y267A
0.21
-
pH 6.0, 45°C, mutant W133A
0.19
-
pH 6.0, 45°C, mutant T41A
0.163
-
pH 6.0, 45°C, mutant R127Q
0.21
-
pH 6.0, 45°C, mutant Q262G
4.4
-
pH 6.0, 45°C, mutant Q262A
2.03
-
pH 6.0, 45°C, mutant P263G
3.86
-
pH 6.0, 45°C, mutant P263A
3.78
-
pH 6.0, 45°C, mutant F434A
0.15
-
pH 6.0, 45°C, mutant E93A
0.17
-
pH 6.0, 45°C, mutant E45A
0.22
-
mutant F605 changed to O-methyltyrosine, pH 6.0, 40°C
0.45
-
wild-type, pH 6.0, 50°C
1.98
-
wild-type, pH 6.0, 40°C
0.25
-
mutant F365 changed to difluorophenylalanine, pH 6.0, 50°C
0.92
-
pH 6.0, 45°C, wild-type enzyme
0.86
-
mutant F365 changed to fluorophenylalanine, pH 6.0, 50°C
1.1
-
pH 6.0, 45°C, mutant Y267A
0.64
-
mutant F365Y changed to O-methyltyrosine, pH 6.0, 50°C
0.15
-
pH 6.0, 45°C, mutant W133A
0.62
-
mutant F365Y, pH 6.0, 50°C
0.17
-
pH 6.0, 45°C, mutant T41A
0.735
-
mutant F605 changed to difluorophenylalanine plus mutation Y606A, pH 6.0, 50°C
0.54
-
pH 6.0, 45°C, mutant R127Q
0.448
-
mutant F605 changed to fluorophenylalanine plus mutation Y606A, pH 6.0, 50°C
0.82
-
pH 6.0, 45°C, mutant Q262G
1.37
-
pH 6.0, 45°C, mutant Q262A
1.21
-
mutant F605W, pH 6.0, 40°C
0.31
-
pH 6.0, 45°C, mutant P263G
1.06
-
mutant F605W, pH 6.0, 50°C
1.32
-
pH 6.0, 45°C, mutant P263A
1.09
-
mutant F605Y changed to O-methyltyrosine, pH 6.0, 50°C
0.7
-
pH 6.0, 45°C, mutant F437A
1.03
-
mutant F605Y, pH 6.0, 40°C
0.27
-
pH 6.0, 45°C, mutant F434A
0.54
-
mutant F605Y, pH 6.0, 50°C
1.82
-
pH 6.0, 45°C, mutant E93A
0.353
-
mutant F6365 changed to trifluorophenylalanine, pH 6.0, 50°C
0.75
-
pH 6.0, 45°C, mutant E45A
0.345
-

KM Value (74 results)

COMMENTARY
EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
LITERATURE
-
0.011
-
N-terminal truncated recombinant enzyme
0.0036
-
pH 7.4, 37°C, recombinant His-tagged wild-type enzyme
0.00987
-
recombinant enzyme
7.7
-
37°C, pH 7.4
0.0038
-
pH 7.0, 30°C
0.018
-
pH 6.0, 45°C, mutant F437A
0.0955
-
pH 6.0, 45°C, mutant T41A
0.0167
-
pH 6.0, 45°C, mutant R127Q
0.0255
-
pH 6.0, 45°C, mutant Q262G
0.156
-
pH 6.0, 45°C, mutant Q262A
0.102
-
pH 6.0, 45°C, mutant W133A
0.0169
-
pH 6.0, 45°C, mutant E45A
0.0213
-
pH 6.0, 45°C, mutant P263G
0.237
-
pH 6.0, 45°C, mutant E93A
0.0189
-
pH 6.0, 45°C, mutant F434A
0.0816
-
pH 6.0, 45°C, mutant P263A
0.185
-
pH 6.0, 45°C, wild-type enzyme
0.0162
-
pH 6.0, 60°C
0.003
0.016
pH 6.0, 45°C, mutant Y267A
0.197
-
pH 7.0, 30°C
0.018
-
pH 6.0, 60°C
0.003
0.016
wild-type, pH 6.0, 50°C
0.0242
-
wild-type, pH 6.0, 40°C
0.0154
-
wild-type, 50°C, pH 6.0
0.0132
-
pH 6.0, 45°C, mutant P263A
0.185
-
wild-type, 45°C, pH 6.0
0.0162
-
wild type enzyme and D376E mutant
0.017
-
quintuple mutant, 50°C, pH 6.0
0.01
-
pH 6.0, 45°C, mutant P263G
0.237
-
pH 6.0, 45°C, mutant Q262A
0.102
-
pH 6.0, 45°C, mutant Q262G
0.156
-
pH 6.0, 45°C, wild-type enzyme
0.0162
-
pH 6.0, 45°C, mutant R127Q
0.0255
-
pH 6.0, 45°C, mutant T41A
0.0167
-
pH 6.0, 45°C, mutant Y267A
0.197
-
pH 6.0, 45°C, mutant W133A
0.0169
-
mutant F605Y changed to O-methyltyrosine, pH 6.0, 50°C
0.152
-
mutant E45A, 45°C, pH 6.0
0.0213
-
mutant E93A, 45°C, pH 6.0
0.0189
-
mutant F365 changed to difluorophenylalanine, pH 6.0, 50°C
0.0416
-
mutant F365 changed to fluorophenylalanine, pH 6.0, 50°C
0.0352
-
mutant F365Y changed to O-methyltyrosine, pH 6.0, 50°C
0.185
-
mutant F365Y, pH 6.0, 50°C
0.13
-
mutant F434A, 45°C, pH 6.0
0.816
-
mutant F437A, 45°C, pH 6.0
0.955
-
mutant F605 changed to difluorophenylalanine plus mutation Y606A, pH 6.0, 50°C
0.0324
-
mutant F605 changed to fluorophenylalanine plus mutation Y606A, pH 6.0, 50°C
0.0279
-
mutant F605 changed to O-methyltyrosine, pH 6.0, 40°C
0.105
-
mutant F605W, pH 6.0, 40°C
0.118
-
mutant F605W, pH 6.0, 50°C
0.191
-
pH 6.0, 45°C, mutant F437A
0.0955
-
mutant F605Y, pH 6.0, 40°C
0.0525
-
mutant F605Y, pH 6.0, 50°C
0.104
-
mutant F6365 changed to trifluorophenylalanine, pH 6.0, 50°C
0.0479
-
mutant P263A, 45°C, pH 6.0
0.185
-
mutant P263G, 45°C, pH 6.0
0.237
-
mutant Q262A, 45°C, pH 6.0
0.102
-
mutant Q262G, 45°C, pH 6.0
0.156
-
mutant R127Q, 45°C, pH 6.0
0.0255
-
mutant T41A, 45°C, pH 6.0
0.0167
-
mutant W133A, 45°C, pH 6.0
0.0169
-
mutantY267A, 45°C, pH 6.0
0.197
-
pH 6.0, 45°C, mutant E45A
0.0213
-
pH 6.0, 45°C, mutant E93A
0.0189
-
pH 6.0, 45°C, mutant F434A
0.0816
-

IC50 Value (1 result)

COMMENTARY
EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
LITERATURE
IC50 is 0.0012 mM
0.0012
-

References & Links

Links to other databases for squalene

ChEBI
PubChem
-
PubChem