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Literature summary for 2.3.3.5 extracted from
- Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase (2019), Biol. Chem., 400, 1567-1581 .
Application
| Application | Comment | Organism |
|---|---|---|
| drug development | the fungi-specific 2-methylcitrate cycle is responsible for detoxifying propionyl-CoA, a toxic metabolite produced as the fungus breaks down proteins and amino acids. The enzyme responsible for this detoxification is 2-methylcitrate synthase (mcsA) and is a potential candidate for the design of new anti-fungals | Aspergillus fumigatus |
Cloned(Commentary)
| Cloned (Comment) | Organism |
|---|---|
| expression in Escherichia coli | Aspergillus fumigatus |
Crystallization (Commentary)
| Crystallization (Comment) | Organism |
|---|---|
| crystallization is performed at room temperature using the sitting-drop vapor diffusion method and MRC 2-drop 96-well crystallization plates | Aspergillus fumigatus |
Protein Variants
| Protein Variants | Comment | Organism |
|---|---|---|
| AW81Y | no measurable activity | Aspergillus fumigatus |
| G352A | mutation does not appear to have an impact on positioning of active site residues | Aspergillus fumigatus |
| G419A | no measurable activity | Aspergillus fumigatus |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 3,3-thiodipropionic acid | competitive inhibition versus propionyl-CoA and versus oxaloacetate | Aspergillus fumigatus |  |
| 3-phosphonopropionic acid | competitive inhibition versus propionyl-CoA, mixed type inhibition versus oxaloacetate | Aspergillus fumigatus | |
| dihydroxyfumaric acid | competitive inhibition versus propionyl-CoA, mixed type inhibition versus oxaloacetate | Aspergillus fumigatus | |
| DL-malic acid | noncompetitive inhibition versus propionyl-CoA and versus oxaloacetate | Aspergillus fumigatus | |
| Maleic acid | noncompetitive inhibition versus propionyl-CoA, competitive inhibition versus oxaloacetate | Aspergillus fumigatus | |
| potassium hydroxycitrate | competitive inhibition versus propionyl-CoA, noncompetitive inhibition versus oxaloacetate | Aspergillus fumigatus | |
| propionate | competitive inhibition versus propionyl-CoA, noncompetitive inhibition versus oxaloacetate | Aspergillus fumigatus | |
KM Value [mM]
| KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.0035 | - |
oxaloacetate | pH 8.0, temperature not specified in the publication, mutant enzyme G352A | Aspergillus fumigatus | |
| 0.0036 | - |
acetyl-CoA | pH 8.0, temperature not specified in the publication, mutant enzyme G352A | Aspergillus fumigatus | |
| 0.0039 | - |
propanoyl-CoA | pH 8.0, temperature not specified in the publication, mutant enzyme G352A | Aspergillus fumigatus | |
| 0.0047 | - |
propanoyl-CoA | pH 8.0, temperature not specified in the publication, wild-type enzyme | Aspergillus fumigatus | |
| 0.0049 | - |
oxaloacetate | pH 8.0, temperature not specified in the publication, wild-type enzyme | Aspergillus fumigatus | |
| 0.005 | - |
acetyl-CoA | pH 8.0, temperature not specified in the publication, wild-type enzyme | Aspergillus fumigatus | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| propanoyl-CoA + H2O + oxaloacetate | Aspergillus fumigatus | the fungi-specific 2-methylcitrate cycle is responsible for detoxifying propionyl-CoA, a toxic metabolite produced as the fungus breaks down proteins and amino acids. The enzyme responsible for this detoxification is 2-methylcitrate synthase (mcsA) and is a potential candidate for the design of new anti-fungals | (2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate + CoA | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Aspergillus fumigatus | Q50I20 | i.e. Aspergillus fumigatus | - |
Purification (Commentary)
| Purification (Comment) | Organism |
|---|---|
- |
Aspergillus fumigatus |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| acetyl-CoA + H2O + oxaloacetate | - |
Aspergillus fumigatus | citrate + CoA | - |
? | |
| propanoyl-CoA + H2O + oxaloacetate | - |
Aspergillus fumigatus | (2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate + CoA | - |
? | |
| propanoyl-CoA + H2O + oxaloacetate | the fungi-specific 2-methylcitrate cycle is responsible for detoxifying propionyl-CoA, a toxic metabolite produced as the fungus breaks down proteins and amino acids. The enzyme responsible for this detoxification is 2-methylcitrate synthase (mcsA) and is a potential candidate for the design of new anti-fungals | Aspergillus fumigatus | (2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate + CoA | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| mcsA | - |
Aspergillus fumigatus |
Turnover Number [1/s]
| Turnover Number Minimum [1/s] | Turnover Number Maximum [1/s] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 10.4 | - |
acetyl-CoA | pH 8.0, temperature not specified in the publication, mutant enzyme G352A | Aspergillus fumigatus | |
| 11.2 | - |
oxaloacetate | pH 8.0, temperature not specified in the publication, mutant enzyme G352A | Aspergillus fumigatus | |
| 12.2 | - |
propanoyl-CoA | pH 8.0, temperature not specified in the publication, mutant enzyme G352A | Aspergillus fumigatus | |
| 29.2 | - |
oxaloacetate | pH 8.0, temperature not specified in the publication, wild-type enzyme | Aspergillus fumigatus | |
| 30.1 | - |
propanoyl-CoA | pH 8.0, temperature not specified in the publication, wild-type enzyme | Aspergillus fumigatus | |
| 32.7 | - |
acetyl-CoA | pH 8.0, temperature not specified in the publication, wild-type enzyme | Aspergillus fumigatus | |
pH Optimum
| pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|
| 8 | - |
assay at | Aspergillus fumigatus |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 6.9 | - |
potassium hydroxycitrate | pH 8.0, temperature not specified in the publication, substrate: propionyl-CoA | Aspergillus fumigatus | |
| 16.6 | - |
potassium hydroxycitrate | pH 8.0, temperature not specified in the publication, substrate: oxaloacetate | Aspergillus fumigatus | |
| 17.1 | - |
dihydroxyfumaric acid | pH 8.0, temperature not specified in the publication, substrate: propionyl-CoA | Aspergillus fumigatus | |
| 18 | - |
propionate | pH 8.0, temperature not specified in the publication, substrate: propionyl-CoA | Aspergillus fumigatus | |
| 23.1 | - |
3-phosphonopropionic acid | pH 8.0, temperature not specified in the publication, substrate: propionyl-CoA | Aspergillus fumigatus | |
| 23.6 | - |
dihydroxyfumaric acid | pH 8.0, temperature not specified in the publication, substrate: oxaloacetate | Aspergillus fumigatus | |
| 30.9 | - |
Maleic acid | pH 8.0, temperature not specified in the publication, substrate: oxaloacetate | Aspergillus fumigatus | |
| 34.4 | - |
3-phosphonopropionic acid | pH 8.0, temperature not specified in the publication, substrate: oxaloacetate | Aspergillus fumigatus | |
| 45.1 | - |
3,3-thiodipropionic acid | pH 8.0, temperature not specified in the publication, substrate: propionyl-CoA | Aspergillus fumigatus | |
| 52.1 | - |
3,3-thiodipropionic acid | pH 8.0, temperature not specified in the publication, substrate: oxaloacetate | Aspergillus fumigatus | |
| 62.1 | - |
DL-malic acid | pH 8.0, temperature not specified in the publication, substrate: propionyl-CoA | Aspergillus fumigatus | |
| 67.5 | - |
DL-malic acid | pH 8.0, temperature not specified in the publication, substrate: oxaloacetate | Aspergillus fumigatus | |
| 74.6 | - |
propionate | pH 8.0, temperature not specified in the publication, substrate: oxaloacetate | Aspergillus fumigatus | |
| 97.3 | - |
Maleic acid | pH 8.0, temperature not specified in the publication, substrate: propionyl-CoA | Aspergillus fumigatus | |
General Information
| General Information | Comment | Organism |
|---|---|---|
| metabolism | the fungi-specific 2-methylcitrate cycle is responsible for detoxifying propionyl-CoA, a toxic metabolite produced as the fungus breaks down proteins and amino acids. The enzyme responsible for this detoxification is 2-methylcitrate synthase (mcsA) and is a potential candidate for the design of new anti-fungals | Aspergillus fumigatus |
kcat/KM [mM/s]
| kcat/KM Value [1/mMs-1] | kcat/KM Value Maximum [1/mMs-1] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 2900 | - |
acetyl-CoA | pH 8.0, temperature not specified in the publication, mutant enzyme G352A | Aspergillus fumigatus | |
| 3200 | - |
oxaloacetate | pH 8.0, temperature not specified in the publication, mutant enzyme G352A | Aspergillus fumigatus | |
| 3200 | - |
propanoyl-CoA | pH 8.0, temperature not specified in the publication, mutant enzyme G352A | Aspergillus fumigatus | |
| 6000 | - |
oxaloacetate | pH 8.0, temperature not specified in the publication, wild-type enzyme | Aspergillus fumigatus | |
| 6500 | - |
propanoyl-CoA | pH 8.0, temperature not specified in the publication, wild-type enzyme | Aspergillus fumigatus | |
| 6600 | - |
acetyl-CoA | pH 8.0, temperature not specified in the publication, wild-type enzyme | Aspergillus fumigatus | |
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