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Literature summary for 3.1.2.20 extracted from
- 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.
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 | - |
myristoyl-CoA | wild-type protein, pH7.5, 37°C | Homo sapiens | |
| 0.009 | - |
palmitoleoyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.009 | - |
oleoyl-CoA | wild-type protein, pH7.5, 25°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 | - |
n-octanoyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.026 | - |
3-hydroxyphenylacetyl-CoA | H56A mutant protein, pH7.5, 25°C | Homo sapiens | |
| 0.032 | - |
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 | - |
beta-methylcrotonyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.12 | - |
3-hydroxyphenylacetyl-CoA | K136A mutant protein, pH7.5, 25°C | Homo sapiens | |
| 0.13 | - |
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 | - |
linoleoyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.31 | - |
3-hydroxyphenylacetyl-CoA | S83A mutant 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 | - |
stearoyl-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 | - |
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 | - |
palmitoleoyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.017 | - |
linoleoyl-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 | - |
tiglyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.02 | - |
myristoyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.022 | - |
n-hexanoyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.022 | - |
Arachidonoyl-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 | - |
n-octanoyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.18 | - |
acetyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.19 | - |
beta-methylcrotonyl-CoA | wild-type protein, pH7.5, 25°C | Homo sapiens | |
| 0.19 | - |
n-propionyl-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 | |
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