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Literature summary extracted from

  • Stawoska, I.; Dudzik, A.; Wasylewski, M.; Jemiola-Rzeminska, M.; Skoczowski, A.; Strzalka, K.; Szaleniec, M.
    DFT-based prediction of reactivity of short-chain alcohol dehydrogenase (2017), J. Comput. Aided Mol. Des., 31, 587-602 .
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

EC Number Cloned (Comment) Organism
1.1.1.311 recombinant overexpression of PEDH in Escherichia coli Aromatoleum aromaticum

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
1.1.1.311 additional information
-
 additional information kinetic and thermodynamic analysis, isothermal titration calorimetry, molecular modelling, overview Aromatoleum aromaticum

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.1.1.311 (S)-1-phenylethanol + NAD+ Aromatoleum aromaticum
-
 acetophenone + NADH + H+
-
 r
1.1.1.311 (S)-1-phenylethanol + NAD+ Aromatoleum aromaticum EbN1
-
 acetophenone + NADH + H+
-
 r

Organism

EC Number Organism UniProt Comment Textmining
1.1.1.311 Aromatoleum aromaticum Q5P5I4
-
-
1.1.1.311 Aromatoleum aromaticum EbN1 Q5P5I4
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
1.1.1.311 recombinant PEDH from Escherichia coli Aromatoleum aromaticum

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.1.1.311 (S)-1-phenylethanol + NAD+
-
 Aromatoleum aromaticum acetophenone + NADH + H+
-
 r
1.1.1.311 (S)-1-phenylethanol + NAD+
-
 Aromatoleum aromaticum EbN1 acetophenone + NADH + H+
-
 r
1.1.1.311 2,2-dichloroacetophenone + NADH + H+
-
 Aromatoleum aromaticum ? + NAD+
-
 r
1.1.1.311 2-acetylpyridine + NADH + H+
-
 Aromatoleum aromaticum ? + NAD+
-
 r
1.1.1.311 2-acetylpyridine + NADH + H+
-
 Aromatoleum aromaticum EbN1 ? + NAD+
-
 r
1.1.1.311 2-chloroacetophenone + NADH + H+
-
 Aromatoleum aromaticum ? + NAD+
-
 r
1.1.1.311 4'-bromoacetophenone + NADH + H+
-
 Aromatoleum aromaticum (S)-4-(1-bromoethyl)phenol + NAD+
-
 r
1.1.1.311 4'-chloroacetophenone + NADH + H+
-
 Aromatoleum aromaticum (S)-4-(1-chloroethyl)phenol + NAD+
-
 r
1.1.1.311 4'-ethylacetophenone + NADH + H+
-
 Aromatoleum aromaticum ? + NAD+
-
 r
1.1.1.311 4'-fluoroacetophenone + NADH + H+
-
 Aromatoleum aromaticum (S)-4-(1-fluoroethyl)phenol + NAD+
-
 r
1.1.1.311 4'-hydroxyacetophenone + NADH + H+
-
 Aromatoleum aromaticum (S)-4-(1-hydroxyethyl)phenol + NAD+
-
 r
1.1.1.311 4'-hydroxyacetophenone + NADH + H+
-
 Aromatoleum aromaticum EbN1 (S)-4-(1-hydroxyethyl)phenol + NAD+
-
 r
1.1.1.311 4'-methoxyacetophenone + NADH + H+
-
 Aromatoleum aromaticum (S)-4-(1-methoxyethyl)phenol + NAD+
-
 r
1.1.1.311 4'-nitroacetophenone + NADH + H+
-
 Aromatoleum aromaticum (S)-4-(1-nitroethyl)phenol + NAD+
-
 r
1.1.1.311 4-acetylpyridine + NADH + H+
-
 Aromatoleum aromaticum ? + NAD+
-
 r
1.1.1.311 acetophenone + NADH + H+
-
 Aromatoleum aromaticum (S)-1-phenylethanol + NAD+
-
 r
1.1.1.311 acetophenone + NADH + H+
-
 Aromatoleum aromaticum EbN1 (S)-1-phenylethanol + NAD+
-
 r
1.1.1.311 additional information the low pH cluster model is used to investigate kinetics and thermodynamics of the PEDH catalysed reductions of ketones to alcohols. The optimization of enzyme-ketone complexes (ES), transitions states (TS) as well as the enzyme-alcohol complexes (EP) are obtained for acetophenone and its structural analogues: 2,2-di-chloroacetophenone, 2-chloroacetophenone, 4'-nitroacetophenone, 4'-hydroxyacetophenone, 4'-methoxyacetophenone, 4'-ethylacetophenone, 4'-fluoroacetophenone, 4'-chloroacetophenone, 4'-bromoacetophenone, and 2-acetyl- and 4-acetylpyridine. Analysis of transition states for acetophenone derivatives, kinetic and thermodynamic analysis, overview Aromatoleum aromaticum ?
-
-
1.1.1.311 additional information the low pH cluster model is used to investigate kinetics and thermodynamics of the PEDH catalysed reductions of ketones to alcohols. The optimization of enzyme-ketone complexes (ES), transitions states (TS) as well as the enzyme-alcohol complexes (EP) are obtained for acetophenone and its structural analogues: 2,2-di-chloroacetophenone, 2-chloroacetophenone, 4'-nitroacetophenone, 4'-hydroxyacetophenone, 4'-methoxyacetophenone, 4'-ethylacetophenone, 4'-fluoroacetophenone, 4'-chloroacetophenone, 4'-bromoacetophenone, and 2-acetyl- and 4-acetylpyridine. Analysis of transition states for acetophenone derivatives, kinetic and thermodynamic analysis, overview Aromatoleum aromaticum EbN1 ?
-
-

Subunits

EC Number Subunits Comment Organism
1.1.1.311 homotetramer crystal structure analysis Aromatoleum aromaticum

Synonyms

EC Number Synonyms Comment Organism
1.1.1.311 PED
-
 Aromatoleum aromaticum
1.1.1.311 PedH
-
 Aromatoleum aromaticum

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
1.1.1.311 30
-
 assay at Aromatoleum aromaticum

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
1.1.1.311 5.5
-
 assay at Aromatoleum aromaticum

Cofactor

EC Number Cofactor Comment Organism Structure
1.1.1.311 NAD+
-
 Aromatoleum aromaticum
1.1.1.311 NADH
-
 Aromatoleum aromaticum

General Information

EC Number General Information Comment Organism
1.1.1.311 evolution PEDH belongs to the short-chain dehydrogenase/reductase superfamily Aromatoleum aromaticum
1.1.1.311 additional information the reaction mechanism of ketone reduction by short chain dehydrogenase/reductase, (S)-1-phenylethanol dehydrogenase from Aromatoleum aromaticum, is studied with DFT methods using cluster model approach Aromatoleum aromaticum