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Literature summary extracted from

  • Knauer, S.H.; Buckel, W.; Dobbek, H.
    Structural basis for reductive radical formation and electron recycling in (R)-2-hydroxyisocaproyl-CoA dehydratase (2011), J. Am. Chem. Soc., 133, 4342-4347.
    View publication on PubMed

Cloned(Commentary)

EC Number Cloned (Comment) Organism
4.2.1.157 overexpression in Escherichia coli Clostridioides difficile

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
4.2.1.157 crystals of the dehydratase are grown at 16°C by the vapor diffusion technique from a reservoir solution containing 18-29% (w/v) PEG 3350 and 100 mM BisTris (pH 6.5). The dehydratase is cocrystallized by incubation with 5 mM (R)-2-hydroxyisocaproate 10 min prior to crystallization Clostridioides difficile

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
4.2.1.157 [4Fe-4S] center the crystal structure reveals that the heterodimeric protein contains two [4Fe-4S] clusters at a distance of 12 A, each coordinated by three cysteines and one terminal ligand. The cluster in the alpha-subunit is part of the active site. In the absence of substrate, a water/hydroxide ion acts as the fourth ligand. The substrate replaces this ligand and coordinates the cluster via the carbonyl-oxygen of the thioester group. The cluster in the beta-subunit has a terminal sulfhydryl/sulfido ligand and can act as a reservoir to protect the electron from unwanted side reactions via a recycling mechanism Clostridioides difficile

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
4.2.1.157 (R)-2-hydroxy-4-methylpentanoyl-CoA Clostridioides difficile the enzyme is involved in fermentation of L-leucine 4-methylpent-2-enoyl-CoA + H2O
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
4.2.1.157 Clostridioides difficile Q5U923 and Q5U924 hadC: Q5U923, hadB: Q5U924
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Purification (Commentary)

EC Number Purification (Comment) Organism
4.2.1.157
-
 Clostridioides difficile

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4.2.1.157 (R)-2-hydroxy-4-methylpentanoyl-CoA the enzyme is involved in fermentation of L-leucine Clostridioides difficile 4-methylpent-2-enoyl-CoA + H2O
-
 ?
4.2.1.157 (R)-2-hydroxy-4-methylpentanoyl-CoA the catalyzed reaction, an atypical alpha/beta-dehydration, depends on the reductive formation of ketyl radicals on the substrate generated by injection of a single electron from the ATP-dependent activator protein Clostridioides difficile 4-methylpent-2-enoyl-CoA + H2O
-
 ?

Subunits

EC Number Subunits Comment Organism
4.2.1.157 heterodimer
-
 Clostridioides difficile

Synonyms

EC Number Synonyms Comment Organism
4.2.1.157 HadBC
-
 Clostridioides difficile