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Literature summary for 1.8.1.14 extracted from
- Turnover-dependent covalent inactivation of Staphylococcus aureus coenzyme A-disulfide reductase by coenzyme A-mimetics: mechanistic and structural insights (2012), Biochemistry, 51, 7699-7711.
Cloned(Commentary)
| Cloned (Comment) | Organism |
|---|---|
| expressed in Escherichia coli C41(DE3) cells | Staphylococcus aureus |
Crystallization (Commentary)
| Crystallization (Comment) | Organism |
|---|---|
| sitting drop vapor diffusion method, using 35-37% (w/v) PEG 600, 0.3-0.4 M MgCl2, and 0.1 M HEPES, pH 7.5 (mutants Y361F and Y419F), or 27% (w/v) PEG 600, 0.4 M MgCl2, pH 7.2 (mutant Y361F/Y419F), or 31% (w/v) PEG 600, 0.4 M MgCl2, and 0.1 M HEPES, pH 7.2 (mutant C43S) | Staphylococcus aureus |
Protein Variants
| Protein Variants | Comment | Organism |
|---|---|---|
| C43S | the enzyme has ca. 0.03% activity relative to the wild type enzyme | Staphylococcus aureus |
| Y361F | the mutant shows increased catalytic efficiency compared to the wild type enzyme | Staphylococcus aureus |
| Y361F/Y419F | the mutant shows reduced catalytic efficiency compared to the wild type enzyme | Staphylococcus aureus |
| Y419F | the mutant shows reduced catalytic efficiency compared to the wild type enzyme | Staphylococcus aureus |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| alpha,beta-unsaturated vinyl sulfone-CoA ethyl ester | - |
Staphylococcus aureus |  |
| methyl vinyl sulfone-CoA | - |
Staphylococcus aureus | |
| phenyl vinyl sulfone-CoA | - |
Staphylococcus aureus | |
KM Value [mM]
| KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.003 | - |
CoA-disulfide | wild type enzyme, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
| 0.047 | - |
methyl methanethiolsulfonate | mutant enzyme Y361F, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
| 0.078 | - |
methyl methanethiolsulfonate | wild type enzyme, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
| 0.575 | - |
methyl methanethiolsulfonate | mutant enzyme Y419F, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
Molecular Weight [Da]
| Molecular Weight [Da] | Molecular Weight Maximum [Da] | Comment | Organism |
|---|---|---|---|
| 51000 | - |
2 * 51000, X-ray crystallography | Staphylococcus aureus |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| CoA-disulfide + NAD(P)H + H+ | Staphylococcus aureus | - |
CoA + NAD(P)+ | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Staphylococcus aureus | Q2FIA5 | - |
- |
Purification (Commentary)
| Purification (Comment) | Organism |
|---|---|
| ammonium sulfate precipitation adenosine 2',5'-diphosphate agarose column chromatography, and Ni-NTA column chromatography | Staphylococcus aureus |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| CoA-disulfide + NAD(P)H + H+ | - |
Staphylococcus aureus | CoA + NAD(P)+ | - |
? | |
| methyl methanethiolsulfonate + NAD(P)H + H+ | - |
Staphylococcus aureus | ? + NAD(P)+ | - |
? | |
Subunits
| Subunits | Comment | Organism |
|---|---|---|
| homodimer | 2 * 51000, X-ray crystallography | Staphylococcus aureus |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| CoADR | - |
Staphylococcus aureus |
| coenzyme A-disulfide reductase | - |
Staphylococcus aureus |
Turnover Number [1/s]
| Turnover Number Minimum [1/s] | Turnover Number Maximum [1/s] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 1.2 | - |
methyl methanethiolsulfonate | mutant enzyme Y419F, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
| 6.4 | - |
methyl methanethiolsulfonate | wild type enzyme, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
| 10.4 | - |
methyl methanethiolsulfonate | mutant enzyme Y361F, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
| 27 | - |
CoA-disulfide | wild type enzyme, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
Cofactor
| Cofactor | Comment | Organism | Structure |
|---|---|---|---|
| coenzyme A | - |
Staphylococcus aureus | |
| flavin | - |
Staphylococcus aureus | |
| NADH | - |
Staphylococcus aureus | |
| NADPH | - |
Staphylococcus aureus | |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.00004 | - |
phenyl vinyl sulfone-CoA | wild type enzyme, at 37°C, pH not specified in the publication | Staphylococcus aureus | |
| 0.0003 | - |
methyl vinyl sulfone-CoA | wild type enzyme, at 37°C, pH not specified in the publication | Staphylococcus aureus | |
| 0.00066 | - |
alpha,beta-unsaturated vinyl sulfone-CoA ethyl ester | wild type enzyme, at 37°C, pH not specified in the publication | Staphylococcus aureus | |
kcat/KM [mM/s]
| kcat/KM Value [1/mMs-1] | kcat/KM Value Maximum [1/mMs-1] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 2.1 | - |
methyl methanethiolsulfonate | mutant enzyme Y419F, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
| 82 | - |
methyl methanethiolsulfonate | wild type enzyme, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
| 220 | - |
methyl methanethiolsulfonate | mutant enzyme Y361F, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
| 9000 | - |
CoA-disulfide | wild type enzyme, at 23°C, pH not specified in the publication | Staphylococcus aureus | |
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