Literature summary for 1.1.1.357 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 .

Search for more literature for 1.1.1.357

Cloned(Commentary)

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

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
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
0.16	-	2-decalol	pH 10.5, 40°C	Comamonas testosteroni
1.7	-	2-decalol	pH 10.5, 10°C	Comamonas testosteroni
14	-	androsterone	pH 10.5, 40°C	Comamonas testosteroni
48	-	Cyclohexanol	pH 10.5, 40°C	Comamonas testosteroni

Natural Substrates/ Products (Substrates)

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

Organism

Organism	UniProt	Comment	Textmining
Comamonas testosteroni	P80702	-	-

Purification (Commentary)

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

Reaction

Reaction	Comment	Organism	Reaction ID
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)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
2-decalol + NAD+	-	Comamonas testosteroni	2-decanone + NADH + H+	-	r
androsterone + NAD+	-	Comamonas testosteroni	androstanedione + NADH + H+	-	r
cyclohexanol + NAD+	-	Comamonas testosteroni	cyclohexanone + NADH + H+	-	r

Synonyms

Synonyms	Comment	Organism
3alpha-HSD	-	Comamonas testosteroni
3alpha-HSD/CR	-	Comamonas testosteroni
3alpha-hydroxysteroid dehydrogenase	-	Comamonas testosteroni
3alpha-hydroxysteroid dehydrogenase/carbonyl reductase	-	Comamonas testosteroni

Temperature Optimum [°C]

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

Turnover Number [1/s]

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

pH Optimum

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

Cofactor

Cofactor	Comment	Organism	Structure
NAD+	-	Comamonas testosteroni
NADH	-	Comamonas testosteroni

kcat/KM [mM/s]

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

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Release 2023.1 (January 2023)