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Literature summary for 3.1.2.20 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
Search for more literature for 3.1.2.20

Cloned(Commentary)

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

Crystallization (Commentary)

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

Protein Variants

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

Inhibitors

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

KM Value [mM]

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

Organism

Organism UniProt Comment Textmining
Homo sapiens Q9NPJ3
-
-

Purification (Commentary)

Purification (Comment) Organism
-
 Homo sapiens

Substrates and Products (Substrate)

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

Subunits

Subunits Comment Organism
homotetramer crystal structure Homo sapiens

Synonyms

Synonyms Comment Organism
hTHEM2
-
 Homo sapiens
thioesterase 2
-
 Homo sapiens

Turnover Number [1/s]

Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
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
0.0032
-
 4-chlorobenzoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.0044
-
 palmitoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.0047
-
 n-octanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.007
-
 3-hydroxyphenylacetyl-CoA N50A mutant protein, pH7.5, 25°C Homo sapiens
0.0076
-
 crotonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.011
-
 oleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.011
-
 stearoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.011
-
 3-hydroxybenzoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.014
-
 2-butenoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.016
-
 n-decanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.017
-
 linoleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.017
-
 palmitoleoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.019
-
 lauroyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.02
-
 myristoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.02
-
 tiglyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.022
-
 Arachidonoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.022
-
 n-hexanoyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.023
-
 beta-methylcrotonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.036
-
 n-propionyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.047
-
 n-butyryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.05
-
 glutaryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.054
-
 acetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.066
-
 malonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.07
-
 myristoyl-CoA wild-type protein, pH7.5, 37°C Homo sapiens
0.079
-
 3-hydroxy-3-methylglutaryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.083
-
 methylmalonyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.084
-
 phenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.14
-
 4-hydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.15
-
 3-hydroxyphenylacetyl-CoA S83A mutant protein, pH7.5, 25°C Homo sapiens
0.16
-
 3-hydroxyphenylacetyl-CoA D65E mutant protein, pH7.5, 25°C Homo sapiens
0.16
-
 3-hydroxyphenylacetyl-CoA H134A mutant protein, pH7.5, 25°C Homo sapiens
0.18
-
 beta-hydroxybutyryl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.19
-
 3,4-dihydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.19
-
 3,5-dihydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens
0.32
-
 3-hydroxyphenylacetyl-CoA K136A mutant protein, pH7.5, 25°C Homo sapiens
0.36
-
 3-hydroxyphenylacetyl-CoA D65N mutant protein, pH7.5, 25°C Homo sapiens
0.62
-
 3-hydroxyphenylacetyl-CoA H56A mutant protein, pH7.5, 25°C Homo sapiens
0.66
-
 3-hydroxyphenylacetyl-CoA T69A mutant protein, pH7.5, 25°C Homo sapiens
0.83
-
 3-hydroxyphenylacetyl-CoA H137A mutant protein, pH7.5, 25°C Homo sapiens
1.4
-
 3-hydroxyphenylacetyl-CoA wild-type protein, pH7.5, 25°C Homo sapiens

Ki Value [mM]

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

kcat/KM [mM/s]

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