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Literature summary for 4.2.1.112 extracted from

  • Liao, R.; Himo, F.
    Theoretical study of the chemoselectivity of tungsten-dependent acetylene hydratase (2011), ACS Catal., 1, 937-944.
No PubMed abstract available
Search for more literature for 4.2.1.112

Inhibitors

Inhibitors Comment Organism Structure
propyne competitive inhibitor Syntrophotalea acetylenica

Metals/Ions

Metals/Ions Comment Organism Structure
Tungsten dependent on Syntrophotalea acetylenica

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
acetylene + H2O Syntrophotalea acetylenica
-
 acetaldehyde
-
 r

Organism

Organism UniProt Comment Textmining
Syntrophotalea acetylenica
-
-
-

Reaction

Reaction Comment Organism Reaction ID
acetaldehyde = acetylene + H2O active-site modeling and reaction mechanism involving direct coordination of the substrate to the tungsten ion, followed by a nucleophilic attack by a water molecule concerted with a proton transfer to a second-shell aspartate, which then reprotonates the substrate. A tungsten-bound hydroxide plays the key role performed by Asp13 in the enzyme, rate-limiting proton transfer step from Asp13 residue to the C2 center of the vinyl anion Syntrophotalea acetylenica
a

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
acetylene + H2O
-
 Syntrophotalea acetylenica acetaldehyde
-
 r
additional information no activity with propyne, ethylene, and acetonitrile, calculated barriers for hydration of the compounds compared to acetylene, overview Syntrophotalea acetylenica ?
-
 ?

General Information

General Information Comment Organism
additional information study of the chemoselectivity of tungsten-dependent acetylene hydratase, overview Syntrophotalea acetylenica