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Literature summary extracted from

  • Cao, J.; Xu, H.; Zhao, H.; Gong, W.; Dunaway-Mariano, D.
    The mechanisms of human hotdog-fold thioesterase 2 (hTHEM2) substrate recognition and catalysis illuminated by a structure and function based analysis (2009), Biochemistry, 48, 1293-1304.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

EC Number Cloned (Comment) Organism
3.1.2.20 His-tagged version expressed in Escherichia coli BL21(DE3) Homo sapiens

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
3.1.2.20 hanging drop vapor diffusion method Homo sapiens

Protein Variants

EC Number Protein Variants Comment Organism
3.1.2.20 D65A active site residue Homo sapiens
3.1.2.20 D65E active site residue Homo sapiens
3.1.2.20 D65N active site residue Homo sapiens
3.1.2.20 H134A reduction in catalytic efficiency Homo sapiens
3.1.2.20 H137A conserved among vertebrate homologues Homo sapiens
3.1.2.20 H56A active site residue Homo sapiens
3.1.2.20 K136A relatively small perturbation in catalytic efficiency Homo sapiens
3.1.2.20 N50A active site residue Homo sapiens
3.1.2.20 S83A active site residue Homo sapiens
3.1.2.20 T69A active site residue Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.1.2.20 desulfoCoA
-
Homo sapiens
3.1.2.20 phenylacetylmethyl-CoA
-
Homo sapiens
3.1.2.20 undecan-2-one-CoA
-
Homo sapiens

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
3.1.2.20 0.0049
-
n-decanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.005
-
myristoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.009
-
oleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.009
-
palmitoleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.009
-
myristoyl-CoA wild-type protein, pH7.5, 37°C Homo sapiens
3.1.2.20 0.0099
-
lauroyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.01
-
3,4-dihydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.016
-
palmitoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.02
-
stearoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.02
-
Arachidonoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.025
-
3,5-dihydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.026
-
3-hydroxyphenylacetyl-CoA H56A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.026
-
n-octanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.032
-
3-hydroxybenzoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.049
-
4-hydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.07
-
n-hexanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.11
-
beta-hydroxybutyryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.12
-
3-hydroxyphenylacetyl-CoA K136A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.12
-
beta-methylcrotonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.13
-
4-chlorobenzoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.16
-
3-hydroxyphenylacetyl-CoA T69A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.18
-
crotonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.19
-
n-propionyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.21
-
methylmalonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.22
-
2-butenoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.23
-
3-hydroxyphenylacetyl-CoA D65E mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.24
-
phenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.25
-
tiglyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.28
-
malonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.29
-
acetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.3
-
3-hydroxyphenylacetyl-CoA N50A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.31
-
3-hydroxyphenylacetyl-CoA S83A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.31
-
linoleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.36
-
3-hydroxyphenylacetyl-CoA D65N mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.41
-
3-hydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.6
-
n-butyryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.62
-
3-hydroxyphenylacetyl-CoA H134A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.67
-
glutaryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.9
-
3-hydroxyphenylacetyl-CoA H137A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 2.9
-
3-hydroxy-3-methylglutaryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens

Organism

EC Number Organism UniProt Comment Textmining
3.1.2.20 Homo sapiens Q9NPJ3
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
3.1.2.20
-
Homo sapiens

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.1.2.20 2-butenoyl-CoA + H2O
-
Homo sapiens CoA + 2-butenoate
-
?
3.1.2.20 3,4-dihydroxyphenylacetyl-CoA + H2O
-
Homo sapiens CoA + 3,4-dihydroxyphenylacetate
-
?
3.1.2.20 3,5-dihydroxyphenylacetyl-CoA + H2O
-
Homo sapiens CoA + 3,5-dihydroxyphenylacetate
-
?
3.1.2.20 3-hydroxy-3-methylglutaryl-CoA + H2O
-
Homo sapiens CoA + 3-hydroxy-3-methylglutarate
-
?
3.1.2.20 3-hydroxybenzoyl-CoA + H2O
-
Homo sapiens CoA + 3-hydroxybenzoate
-
?
3.1.2.20 3-hydroxyphenylacetyl-CoA + H2O
-
Homo sapiens CoA + 3-hydroxyphenylacetate
-
?
3.1.2.20 4-chlorobenzoyl-CoA + H2O
-
Homo sapiens CoA + 4-chlorobenzoate
-
?
3.1.2.20 4-hydroxyphenylacetyl-CoA + H2O
-
Homo sapiens CoA + 4-hydroxyphenylacetate
-
?
3.1.2.20 acetyl-CoA + H2O
-
Homo sapiens CoA + acetate
-
?
3.1.2.20 arachidonoyl-CoA + H2O
-
Homo sapiens CoA + arachidonate
-
?
3.1.2.20 beta-hydroxybutyryl-CoA + H2O
-
Homo sapiens CoA + beta-hydroxybutyrate
-
?
3.1.2.20 beta-methylcrotonyl-CoA + H2O
-
Homo sapiens CoA + beta-methylcrotonate
-
?
3.1.2.20 crotonyl-CoA + H2O
-
Homo sapiens CoA + crotonate
-
?
3.1.2.20 glutaryl-CoA + H2O
-
Homo sapiens CoA + glutarate
-
?
3.1.2.20 lauroyl-CoA + H2O
-
Homo sapiens CoA + laurate
-
?
3.1.2.20 linoleoyl-CoA + H2O
-
Homo sapiens CoA + linoleate
-
?
3.1.2.20 malonyl-CoA + H2O
-
Homo sapiens CoA + malonate
-
?
3.1.2.20 methylmalonyl-CoA + H2O
-
Homo sapiens CoA + methylmalonate
-
?
3.1.2.20 myristoyl-CoA + H2O
-
Homo sapiens CoA + myristate
-
?
3.1.2.20 n-butyryl-CoA + H2O
-
Homo sapiens CoA + n-butyrate
-
?
3.1.2.20 n-decanoyl-CoA + H2O
-
Homo sapiens CoA + n-decanoate
-
?
3.1.2.20 n-hexanoyl-CoA + H2O
-
Homo sapiens CoA + n-hexanoate
-
?
3.1.2.20 n-octanoyl-CoA + H2O
-
Homo sapiens CoA + n-octanoate
-
?
3.1.2.20 n-propionyl-CoA + H2O
-
Homo sapiens CoA + n-propionate
-
?
3.1.2.20 oleoyl-CoA + H2O
-
Homo sapiens CoA + oleate
-
?
3.1.2.20 palmitoleoyl-CoA + H2O
-
Homo sapiens CoA + palmitoleate
-
?
3.1.2.20 palmitoyl-CoA + H2O
-
Homo sapiens CoA + palmitate
-
?
3.1.2.20 phenylacetyl-CoA + H2O
-
Homo sapiens CoA + phenylacetate
-
?
3.1.2.20 stearoyl-CoA + H2O
-
Homo sapiens CoA + stearate
-
?
3.1.2.20 tiglyl-CoA + H2O
-
Homo sapiens CoA + (2E)-2-methylbut-2-enoate
-
?

Subunits

EC Number Subunits Comment Organism
3.1.2.20 homotetramer crystal structure Homo sapiens

Synonyms

EC Number Synonyms Comment Organism
3.1.2.20 hTHEM2
-
Homo sapiens
3.1.2.20 thioesterase 2
-
Homo sapiens

Turnover Number [1/s]

EC Number Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
3.1.2.20 additional information
-
additional information no activity observed with 4-hydroxybenzoyl-CoA, lauroyl-acyl carrier protein, myristoyl-acyl carrier protein, palmitoyl-acyl carrier protein, octanoyl-acyl carrier protein, oleoyl-acyl carrier protein and acylated peptide N-acetyl-Gly-Ala-Cys-S-palmitoyl, turnover number of mutant protein D65A below 0.00001 s-1 for 3-hydroxyphenylacetyl-CoA Homo sapiens
3.1.2.20 0.0032
-
4-chlorobenzoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.0044
-
palmitoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.0047
-
n-octanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.007
-
3-hydroxyphenylacetyl-CoA N50A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.0076
-
crotonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.011
-
oleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.011
-
stearoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.011
-
3-hydroxybenzoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.014
-
2-butenoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.016
-
n-decanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.017
-
linoleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.017
-
palmitoleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.019
-
lauroyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.02
-
myristoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.02
-
tiglyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.022
-
Arachidonoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.022
-
n-hexanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.023
-
beta-methylcrotonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.036
-
n-propionyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.047
-
n-butyryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.05
-
glutaryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.054
-
acetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.066
-
malonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.07
-
myristoyl-CoA wild-type protein, pH7.5, 37°C Homo sapiens
3.1.2.20 0.079
-
3-hydroxy-3-methylglutaryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.083
-
methylmalonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.084
-
phenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.14
-
4-hydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.15
-
3-hydroxyphenylacetyl-CoA S83A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.16
-
3-hydroxyphenylacetyl-CoA D65E mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.16
-
3-hydroxyphenylacetyl-CoA H134A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.18
-
beta-hydroxybutyryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.19
-
3,4-dihydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.19
-
3,5-dihydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.32
-
3-hydroxyphenylacetyl-CoA K136A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.36
-
3-hydroxyphenylacetyl-CoA D65N mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.62
-
3-hydroxyphenylacetyl-CoA H56A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.66
-
3-hydroxyphenylacetyl-CoA T69A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.83
-
3-hydroxyphenylacetyl-CoA H137A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 1.4
-
3-hydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
3.1.2.20 0.003
-
undecan-2-one-CoA 0 mM NaCl Homo sapiens
3.1.2.20 0.0033
-
undecan-2-one-CoA 100 mM NaCl Homo sapiens
3.1.2.20 0.009
-
desulfoCoA
-
Homo sapiens
3.1.2.20 0.5
-
phenylacetylmethyl-CoA
-
Homo sapiens

kcat/KM [mM/s]

EC Number kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
3.1.2.20 0.023
-
3-hydroxyphenylacetyl-CoA N50A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.025
-
4-chlorobenzoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.027
-
3-hydroxy-3-methylglutaryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.054
-
linoleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.064
-
2-butenoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.078
-
n-butyryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.082
-
tiglyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.17
-
3-hydroxyphenylacetyl-CoA H134A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.18
-
acetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.18
-
n-octanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.19
-
n-propionyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.19
-
beta-methylcrotonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.24
-
malonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.28
-
palmitoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.31
-
n-hexanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.35
-
phenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.35
-
3-hydroxybenzoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.39
-
methylmalonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.47
-
crotonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.58
-
3-hydroxyphenylacetyl-CoA S83A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.67
-
3-hydroxyphenylacetyl-CoA D65E mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.75
-
glutaryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 0.92
-
3-hydroxyphenylacetyl-CoA H137A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 1
-
3-hydroxyphenylacetyl-CoA D65N mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 1.1
-
Arachidonoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 1.3
-
oleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 1.6
-
beta-hydroxybutyryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 1.9
-
lauroyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 1.9
-
palmitoleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 2.6
-
3-hydroxyphenylacetyl-CoA K136A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 2.9
-
4-hydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 3.3
-
n-decanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 4
-
myristoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 4.1
-
3-hydroxyphenylacetyl-CoA T69A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 5.5
-
stearoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 7.7
-
myristoyl-CoA wild-type protein, pH7.5, 37°C Homo sapiens
3.1.2.20 7.9
-
3,5-dihydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 18
-
3,4-dihydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
3.1.2.20 24
-
3-hydroxyphenylacetyl-CoA H56A mutant protein, pH7.5, 25°C Homo sapiens
3.1.2.20 35
-
3-hydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens