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Literature summary for 4.1.1.76 extracted from
- Enzymatic enantioselective decarboxylative protonation of heteroaryl malonates (2015), Chemistry, 21, 6557-6563 .
Protein Variants
| Protein Variants | Comment | Organism |
|---|---|---|
| M159V | mutant shows increased reaction rates with furanyl malonates | Bordetella bronchiseptica |
| M159V | the mutant has no activity with hydroxy(phenyl)propanedioic acid compared to the wild type enzyme | Bordetella bronchiseptica |
| P14V/P15G | mutant displays a trend towards lower Km values than wild-type, with the entire set of malonate substrates tested | Bordetella bronchiseptica |
| P14V/P15G | the mutant has no activity with hydroxy(phenyl)propanedioic acid compared to the wild type enzyme | Bordetella bronchiseptica |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| benzylphosphonate | - |
Bordetella bronchiseptica |  |
KM Value [mM]
| KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.82 | - |
(1-benzothiophen-5-yl)(hydroxy)propanedioic acid | mutant M159V, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 2.1 | - |
(1-benzothiophen-5-yl)(hydroxy)propanedioic acid | mutant P14V/P15G, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 2.2 | - |
hydroxy(thiophen-2-yl)propanedioic acid | mutant P14V/P15G, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 3.1 | - |
(1-benzothiophen-6-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 3.1 | - |
(1-benzothiophen-5-yl)(hydroxy)propanedioic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 3.5 | - |
hydroxy(thiophen-2-yl)propanedioic acid | mutant M159V, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 4.3 | - |
hydroxy(thiophen-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 4.3 | - |
hydroxy(thiophen-2-yl)propanedioic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 6.4 | - |
hydroxy(pyridin-3-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 6.4 | - |
hydroxy(pyridin-3-yl)propanedioic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 7.3 | - |
hydroxy(pyridin-3-yl)propanedioic acid | mutant M159V, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 8.2 | - |
(1-benzofuran-2-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 8.6 | - |
(furan-2-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 9.8 | - |
hydroxy(5-methylfuran-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 10.1 | - |
2-(furan-2-yl) malonic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 12.7 | - |
(4,5-dimethylfuran-2-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 13 | - |
hydroxy(pyridin-3-yl)propanedioic acid | mutant P14V/P15G, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 13.3 | - |
hydroxy(4-methylfuran-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 16.1 | - |
hydroxy(5-methoxyfuran-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 30.2 | - |
hydroxy(phenyl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| 2-aryl-2-methylmalonate + H+ | Bordetella bronchiseptica | - |
2-arylpropionate + CO2 | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Bordetella bronchiseptica | - |
- |
- |
| Bordetella bronchiseptica | Q05115 | - |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| (1-benzofuran-2-yl)(hydroxy)propanedioic acid + H+ | 93% yield | Bordetella bronchiseptica | (2R)-(1-benzofuran-2-yl)(hydroxy)acetic acid + CO2 | - |
? | |
| (1-benzothiophen-5-yl)(hydroxy)propanedioic acid | - |
Bordetella bronchiseptica | (2R)-(1-benzothiophen-5-yl)(hydroxy)acetic acid + CO2 | - |
? | |
| (1-benzothiophen-6-yl)(hydroxy)propanedioic acid + H+ | 89% yield | Bordetella bronchiseptica | (2R)-(1-benzothiophen-6-yl)(hydroxy)acetic acid + CO2 | - |
? | |
| (4,5-dimethylfuran-2-yl)(hydroxy)propanedioic acid + H+ | 96% yield | Bordetella bronchiseptica | (2R)-(4,5-dimethylfuran-2-yl)(hydroxy)acetic acid + CO2 | - |
? | |
| (furan-2-yl)(hydroxy)propanedioic acid + H+ | 95% yield | Bordetella bronchiseptica | (2R)-(furan-2-yl)(hydroxy)acetic acid + CO2 | - |
? | |
| 2-(furan-2-yl) malonic acid | - |
Bordetella bronchiseptica | (furan-2-yl)acetic acid + CO2 | - |
? | |
| 2-aryl-2-methylmalonate + H+ | - |
Bordetella bronchiseptica | 2-arylpropionate + CO2 | - |
? | |
| hydroxy(4-methylfuran-2-yl)propanedioic acid + H+ | 995% yield | Bordetella bronchiseptica | (2R)-hydroxy(4-methylfuran-2-yl)acetic acid + CO2 | - |
? | |
| hydroxy(5-methoxyfuran-2-yl)propanedioic acid + H+ | 84% yield | Bordetella bronchiseptica | (2R)-hydroxy(5-methoxyfuran-2-yl)acetic acid + CO2 | - |
? | |
| hydroxy(5-methylfuran-2-yl)propanedioic acid + H+ | 95% yield | Bordetella bronchiseptica | (2R)-hydroxy(5-methylfuran-2-yl)acetic acid + CO2 | - |
? | |
| hydroxy(phenyl)propanedioic acid + H+ | - |
Bordetella bronchiseptica | hydroxy(phenyl)acetic acid + CO2 | - |
? | |
| hydroxy(phenyl)propanedioic acid + H+ | 96% yield | Bordetella bronchiseptica | hydroxy(phenyl)acetic acid + CO2 | - |
? | |
| hydroxy(pyridin-3-yl)propanedioic acid | - |
Bordetella bronchiseptica | (2R)-hydroxy(pyridin-3-yl)acetic acid + CO2 | - |
? | |
| hydroxy(pyridin-3-yl)propanedioic acid + H+ | 97% yield | Bordetella bronchiseptica | (2R)-hydroxy(pyridin-3-yl)acetic acid + CO2 | - |
? | |
| hydroxy(thiophen-2-yl)propanedioic acid | - |
Bordetella bronchiseptica | (2S)-hydroxy(thiophen-2-yl)acetic acid + CO2 | - |
? | |
| hydroxy(thiophen-2-yl)propanedioic acid + H+ | 97% yield | Bordetella bronchiseptica | (2S)-hydroxy(thiophen-2-yl)acetic acid + CO2 | - |
? | |
| additional information | the enzyme does not accept alpha,alpha-dialkyl malonic acids as substrates | Bordetella bronchiseptica | ? | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| AMDase | - |
Bordetella bronchiseptica |
| aryl/alkenyl malonate decarboxylase | - |
Bordetella bronchiseptica |
Turnover Number [1/s]
| Turnover Number Minimum [1/s] | Turnover Number Maximum [1/s] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 12.4 | - |
(4,5-dimethylfuran-2-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 30.5 | - |
hydroxy(5-methoxyfuran-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 34 | - |
hydroxy(thiophen-2-yl)propanedioic acid | mutant P14V/P15G, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 37.1 | - |
hydroxy(5-methylfuran-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 42.2 | - |
hydroxy(pyridin-3-yl)propanedioic acid | mutant P14V/P15G, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 42.4 | - |
hydroxy(4-methylfuran-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 54.8 | - |
(1-benzothiophen-5-yl)(hydroxy)propanedioic acid | mutant M159V, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 61.9 | - |
(furan-2-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 68.5 | - |
(1-benzothiophen-5-yl)(hydroxy)propanedioic acid | mutant P14V/P15G, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 79.3 | - |
hydroxy(thiophen-2-yl)propanedioic acid | mutant M159V, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 86.4 | - |
hydroxy(pyridin-3-yl)propanedioic acid | mutant M159V, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 101 | - |
hydroxy(phenyl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 147.7 | - |
(1-benzothiophen-6-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 147.7 | - |
(1-benzothiophen-5-yl)(hydroxy)propanedioic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 165.9 | - |
hydroxy(thiophen-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 165.9 | - |
hydroxy(thiophen-2-yl)propanedioic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 224.8 | - |
hydroxy(pyridin-3-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 224.8 | - |
hydroxy(pyridin-3-yl)propanedioic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 277.9 | - |
(1-benzofuran-2-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
kcat/KM [mM/s]
| kcat/KM Value [1/mMs-1] | kcat/KM Value Maximum [1/mMs-1] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 1 | - |
(4,5-dimethylfuran-2-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 1.9 | - |
hydroxy(5-methoxyfuran-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 3.2 | - |
hydroxy(4-methylfuran-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 3.2 | - |
hydroxy(pyridin-3-yl)propanedioic acid | mutant P14V/P15G, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 3.3 | - |
hydroxy(phenyl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 3.8 | - |
hydroxy(5-methylfuran-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 6.4 | - |
(furan-2-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 9.9 | - |
(1-benzothiophen-5-yl)(hydroxy)propanedioic acid | mutant P14V/P15G, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 11.8 | - |
hydroxy(pyridin-3-yl)propanedioic acid | mutant M159V, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 15.2 | - |
hydroxy(thiophen-2-yl)propanedioic acid | mutant P14V/P15G, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 22.4 | - |
hydroxy(thiophen-2-yl)propanedioic acid | mutant M159V, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 33.9 | - |
(1-benzofuran-2-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 35.3 | - |
hydroxy(pyridin-3-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 35.3 | - |
hydroxy(pyridin-3-yl)propanedioic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 38.6 | - |
hydroxy(thiophen-2-yl)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 38.6 | - |
hydroxy(thiophen-2-yl)propanedioic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 48.3 | - |
(1-benzothiophen-6-yl)(hydroxy)propanedioic acid | wild type enzyme, pH and temperature not specified in the publication | Bordetella bronchiseptica | |
| 48.3 | - |
(1-benzothiophen-5-yl)(hydroxy)propanedioic acid | wild-type, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
| 66.6 | - |
(1-benzothiophen-5-yl)(hydroxy)propanedioic acid | mutant M159V, pH not specified in the publication, temperature not specified in the publication | Bordetella bronchiseptica | |
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