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Literature summary extracted from

  • Liao, R.Z.; Thiel, W.
    Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase (2013), J. Comput. Chem., 34, 2389-2397.
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
4.2.1.112 the enzyme complexed with the aldehyde 4-oxobutyl diphosphate, X-ray diffraction structure determination and anaysis at 1.8 A resolution Escherichia coli

Inhibitors

EC Number Inhibitors Comment Organism Structure
4.2.1.112 but-3-ynyl diphosphate
-
 Escherichia coli
4.2.1.112 additional information Moessbauer spectroscopic investigation of the enzyme inhibitors, overview Escherichia coli
4.2.1.112 pent-4-ynyl diphosphate
-
 Escherichia coli
4.2.1.112 propynyl diphosphate
-
 Escherichia coli

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
4.2.1.112 Fe2+ [Fe4S4] cluster involved in hydratase reaction. The enzyme protects the [Fe4S4] cluster from O2 complexed with intermediate or product Escherichia coli

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
4.2.1.112 acetylene + H2O Escherichia coli oxidised enzyme acetaldehyde
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
4.2.1.112 Escherichia coli
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4.2.1.112 acetylene + H2O oxidised enzyme Escherichia coli acetaldehyde
-
 ?
4.2.1.112 but-3-ynyl diphosphate via (E)-4-hydroxybut-3-enyl diphosphate Escherichia coli 4-oxobutyl diphosphate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
4.2.1.112 (E)-4-hydroxy-3-methyl-but-2-enyl diphosphate reductase
-
 Escherichia coli
4.2.1.112 HMBPP reductase
-
 Escherichia coli
4.2.1.112 ispH
-
 Escherichia coli

General Information

EC Number General Information Comment Organism
4.2.1.112 metabolism in isoprenoid biosynthesis, the protein (E)-4-hydroxy-3-methyl-but-2-enyl diphosphate reductase performs a 2H+/2e- reduction and deoxygenation of (E)-4-hydroxy-3-methyl-but-2-enyl diphosphate, yielding isopentenyl diphosphate and dimethylallyl diphosphate. In addition to its role as a 2H+/2e- reductase in isoprenoid biosynthesis, IspH can catalyse a second class of reactions: the addition of water to acetylene groups to produce aldehyde and ketone products Escherichia coli