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Literature summary extracted from

  • Wallace, B.D.; Edwards, J.S.; Wallen, J.R.; Moolman, W.J.; van der Westhuyzen, R.; Strauss, E.; Redinbo, M.R.; Claiborne, A.
    Turnover-dependent covalent inactivation of Staphylococcus aureus coenzyme A-disulfide reductase by coenzyme A-mimetics: mechanistic and structural insights (2012), Biochemistry, 51, 7699-7711.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

EC Number Cloned (Comment) Organism
1.8.1.14 expressed in Escherichia coli C41(DE3) cells Staphylococcus aureus

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
1.8.1.14 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

EC Number Protein Variants Comment Organism
1.8.1.14 C43S the enzyme has ca. 0.03% activity relative to the wild type enzyme Staphylococcus aureus
1.8.1.14 Y361F the mutant shows increased catalytic efficiency compared to the wild type enzyme Staphylococcus aureus
1.8.1.14 Y361F/Y419F the mutant shows reduced catalytic efficiency compared to the wild type enzyme Staphylococcus aureus
1.8.1.14 Y419F the mutant shows reduced catalytic efficiency compared to the wild type enzyme Staphylococcus aureus

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.8.1.14 alpha,beta-unsaturated vinyl sulfone-CoA ethyl ester
-
Staphylococcus aureus
1.8.1.14 methyl vinyl sulfone-CoA
-
Staphylococcus aureus
1.8.1.14 phenyl vinyl sulfone-CoA
-
Staphylococcus aureus

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
1.8.1.14 0.003
-
CoA-disulfide wild type enzyme, at 23°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 0.047
-
methyl methanethiolsulfonate mutant enzyme Y361F, at 23°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 0.078
-
methyl methanethiolsulfonate wild type enzyme, at 23°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 0.575
-
methyl methanethiolsulfonate mutant enzyme Y419F, at 23°C, pH not specified in the publication Staphylococcus aureus

Molecular Weight [Da]

EC Number Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
1.8.1.14 51000
-
2 * 51000, X-ray crystallography Staphylococcus aureus

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.8.1.14 CoA-disulfide + NAD(P)H + H+ Staphylococcus aureus
-
CoA + NAD(P)+
-
?

Organism

EC Number Organism UniProt Comment Textmining
1.8.1.14 Staphylococcus aureus Q2FIA5
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
1.8.1.14 ammonium sulfate precipitation adenosine 2',5'-diphosphate agarose column chromatography, and Ni-NTA column chromatography Staphylococcus aureus

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.8.1.14 CoA-disulfide + NAD(P)H + H+
-
Staphylococcus aureus CoA + NAD(P)+
-
?
1.8.1.14 methyl methanethiolsulfonate + NAD(P)H + H+
-
Staphylococcus aureus ? + NAD(P)+
-
?

Subunits

EC Number Subunits Comment Organism
1.8.1.14 homodimer 2 * 51000, X-ray crystallography Staphylococcus aureus

Synonyms

EC Number Synonyms Comment Organism
1.8.1.14 CoADR
-
Staphylococcus aureus
1.8.1.14 coenzyme A-disulfide reductase
-
Staphylococcus aureus

Turnover Number [1/s]

EC Number Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
1.8.1.14 1.2
-
methyl methanethiolsulfonate mutant enzyme Y419F, at 23°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 6.4
-
methyl methanethiolsulfonate wild type enzyme, at 23°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 10.4
-
methyl methanethiolsulfonate mutant enzyme Y361F, at 23°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 27
-
CoA-disulfide wild type enzyme, at 23°C, pH not specified in the publication Staphylococcus aureus

Cofactor

EC Number Cofactor Comment Organism Structure
1.8.1.14 coenzyme A
-
Staphylococcus aureus
1.8.1.14 flavin
-
Staphylococcus aureus
1.8.1.14 NADH
-
Staphylococcus aureus
1.8.1.14 NADPH
-
Staphylococcus aureus

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
1.8.1.14 0.00004
-
phenyl vinyl sulfone-CoA wild type enzyme, at 37°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 0.0003
-
methyl vinyl sulfone-CoA wild type enzyme, at 37°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 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]

EC Number kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
1.8.1.14 2.1
-
methyl methanethiolsulfonate mutant enzyme Y419F, at 23°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 82
-
methyl methanethiolsulfonate wild type enzyme, at 23°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 220
-
methyl methanethiolsulfonate mutant enzyme Y361F, at 23°C, pH not specified in the publication Staphylococcus aureus
1.8.1.14 9000
-
CoA-disulfide wild type enzyme, at 23°C, pH not specified in the publication Staphylococcus aureus