Ligand benzene

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Basic Ligand Information

Molecular Structure
Picture of benzene (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C6H6
benzene
UHOVQNZJYSORNB-UHFFFAOYSA-N
Synonyms:
benzol, Bio-x-IEPDp-(Oph)2

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Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (6 results)

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EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
benzene + NADH + O2 = benzene dihydrodiol + NAD+
show the reaction diagram
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benzene + NADPH + O2 + H+ = phenol + NADP+ + H2O
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Substrate in Enzyme-catalyzed Reactions (20 results)

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EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
benzene + H2O2 = phenol + H2O
show the reaction diagram
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benzene + NADH + O2 = H2O2 + cis-benzene-1,2-dihydrodiol + NAD+
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benzene + ? = ?
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benzene + NADH + H+ + O2 = phenol + NAD+ + H2O
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (6 results)

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EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
UDP-N-acetylgalactosamine + N-acetylglucosamine-beta-benzyl = N,N'-diacetyllactosediamine + benzol
show the reaction diagram
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benzyl (trans-4-[[4-(aminomethyl)cyclohexyl]carbonyl]oxybenzen-propionate) + H2O = benzol + trans-4-[[4-(aminomethyl)cyclohexyl]carbonyl]oxybenzen-propionate
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benzyl-beta-D-glucopyranoside + H2O = benzol + beta-D-glucopyranose
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N-Benzyloxycarbonyl-Lys benzyl ester + H2O = N-Benzyloxycarbonyl-Lys + benzol
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Activator in Enzyme-catalyzed Reactions (9 results)

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EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
induces CYP4F3 in human blood cells both in vivo and in vitro
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relative activity 106%
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enhances enzyme activity
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stimulates
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stimulates decarboxylation of natural amino acids
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Inhibitor in Enzyme-catalyzed Reactions (15 results)

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EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
inhibits 20% at 10%
-
1 h, 20% loss of activity by 20% (v/v), 40% loss of activity by 50% (v/v)
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98% residual activity at 5% (v/v)
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IC50 is 0.012 mM
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77% inhibition at 40% v/v; 79% inhibition at 40% v/v
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reversible
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10%, 40% inhibition
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about 70% residual activity at 10% (v/v)
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specific and irreversible inhibition both in vitro and in cells
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at 12.5% (v/v) remaining activity, 88.94%, and 25% (v/v) remaining activity, 88.94%
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enzyme inhibition by benzene and its metabolites represents a potential mechanism by which benzene can induce its chromosome-altering and leukemogenic effects
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3D Structure of Enzyme-Ligand-Complex (PDB) (14 results)

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Enzyme Kinetic Parameters

kcat Value (Turnover Number) (5 results)

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EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
8
-
pH 7.0, temperature not specified in the publication
0.056
-
Pseudomonas pseudoalcaligenes strain 1072
0.1
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25°C, recombinant enzyme

KM Value (3 results)

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EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
3.6
-
pH 7.0, temperature not specified in the publication
0.00433
-
Pseudomonas pseudoalcaligenes strain 1072
0.025
-
25°C, recombinant enzyme

IC50 Value (2 results)

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EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.012
-
IC50 is 0.012 mM
0.011
-
-

References & Links

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Links to other databases for benzene

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ChEBI
PubChem
ChEBI
PubChem