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Literature summary extracted from

  • Hwang, C.C.; Chang, P.R.; Hsieh, C.L.; Chou, Y.H.; Wang, T.P.
    Thermodynamic analysis of remote substrate binding energy in 3alpha-hydroxysteroid dehydrogenase/carbonyl reductase catalysis (2019), Chem. Biol. Interact., 302, 183-189 .
    View publication on PubMed

Cloned(Commentary)

EC Number Cloned (Comment) Organism
1.1.1.50 expression in Escherichia coli BL21 (DE3) Comamonas testosteroni
1.1.1.50 overexpression in Escherichia coli Comamonas testosteroni
1.1.1.357 recombinant expression of His-tagged enzyme in Escherichia coli strain BL21(DE3) Comamonas testosteroni

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
1.1.1.357 additional information
-
 additional information steady-state kinetics and thermodynamics. The effects of temperature on kcat/Km for 3alpha-HSD/CR acting on androsterone, 2-decalol, and cyclohexanol show the reactions are entropically favorable but enthalpically unfavorable. Thermodynamic analysis from the temperature-dependent values of Km and kcat shows the binding of the E-NAD+ complex with either 2-decalol or cyclohexanol to form the ternary complex is endothermic and entropy-driven, and the subsequent conversion to the transition state is both enthalpically and entropically unfavorable Comamonas testosteroni
1.1.1.357 0.16
-
 2-decalol pH 10.5, 40°C Comamonas testosteroni
1.1.1.357 1.7
-
 2-decalol pH 10.5, 10°C Comamonas testosteroni
1.1.1.357 14
-
 androsterone pH 10.5, 40°C Comamonas testosteroni
1.1.1.357 48
-
 Cyclohexanol pH 10.5, 40°C Comamonas testosteroni

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.1.1.357 androsterone + NAD+ Comamonas testosteroni
-
 androstanedione + NADH + H+
-
 r

Organism

EC Number Organism UniProt Comment Textmining
1.1.1.50 Comamonas testosteroni P80702
-
-
1.1.1.357 Comamonas testosteroni P80702
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
1.1.1.50
-
 Comamonas testosteroni
1.1.1.357 recombinant His-tagged enzyme from Escherichia coli strain BL21(DE3) Comamonas testosteroni

Reaction

EC Number Reaction Comment Organism Reaction ID
1.1.1.357 a 3alpha-hydroxysteroid + NAD(P)+ = a 3-oxosteroid + NAD(P)H + H+ rapid equilibrium ordered bi bi kinetic mechanism Comamonas testosteroni
a

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.1.1.50 2-decalol + NAD+
-
 Comamonas testosteroni ? + NADH + H+
-
 ?
1.1.1.50 androsterone + NAD+ the enzyme uses remote binding interactions to accelerate the reaction of androsterone with NAD+. The remote non-reacting sites of androsterone may induce a conformational change of the substrate binding loop with an entropic cost for better interaction with the transition state to decrease the enthalpy of activation, significantly increasing catalytic efficiency Comamonas testosteroni androstanedione + NADH + H+
-
 ?
1.1.1.50 androsterone + NAD+ thermodynamic analysis of remote substrate binding energy. The remote non-reacting sites of androsterone may induce a conformational change of the substrate binding loop with an entropic cost for better interaction with the transition state to decrease the enthalpy of activation, significantly increasing catalytic efficiency Comamonas testosteroni androstanedione + NADH + H+
-
 ?
1.1.1.50 cyclohexanol + NAD+
-
 Comamonas testosteroni ? + NADH + H+
-
 ?
1.1.1.357 2-decalol + NAD+
-
 Comamonas testosteroni 2-decanone + NADH + H+
-
 r
1.1.1.357 androsterone + NAD+
-
 Comamonas testosteroni androstanedione + NADH + H+
-
 r
1.1.1.357 cyclohexanol + NAD+
-
 Comamonas testosteroni cyclohexanone + NADH + H+
-
 r

Synonyms

EC Number Synonyms Comment Organism
1.1.1.50 3alpha-HSD/CR
-
 Comamonas testosteroni
1.1.1.50 3alpha-hydroxysteroid dehydrogenase/carbonyl reductase
-
 Comamonas testosteroni
1.1.1.357 3alpha-HSD
-
 Comamonas testosteroni
1.1.1.357 3alpha-HSD/CR
-
 Comamonas testosteroni
1.1.1.357 3alpha-hydroxysteroid dehydrogenase
-
 Comamonas testosteroni
1.1.1.357 3alpha-hydroxysteroid dehydrogenase/carbonyl reductase
-
 Comamonas testosteroni

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
1.1.1.357 10 40 assay at Comamonas testosteroni

Turnover Number [1/s]

EC Number Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
1.1.1.357 0.74
-
 Cyclohexanol pH 10.5, 40°C Comamonas testosteroni
1.1.1.357 0.91
-
 2-decalol pH 10.5, 10°C Comamonas testosteroni
1.1.1.357 4.3
-
 2-decalol pH 10.5, 40°C Comamonas testosteroni
1.1.1.357 7.2
-
 androsterone pH 10.5, 40°C Comamonas testosteroni

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
1.1.1.357 10.5
-
 assay at Comamonas testosteroni

Cofactor

EC Number Cofactor Comment Organism Structure
1.1.1.357 NAD+
-
 Comamonas testosteroni
1.1.1.357 NADH
-
 Comamonas testosteroni

kcat/KM [mM/s]

EC Number kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
1.1.1.357 0.015
-
 Cyclohexanol pH 10.5, 40°C Comamonas testosteroni
1.1.1.357 0.51
-
 androsterone pH 10.5, 40°C Comamonas testosteroni
1.1.1.357 0.54
-
 2-decalol pH 10.5, 10°C Comamonas testosteroni
1.1.1.357 26.88
-
 2-decalol pH 10.5, 40°C Comamonas testosteroni