Literature summary for 1.1.1.149 extracted from

Dhagat, U.; Endo, S.; Soda, M.; Hara, A.; El-Kabbani, O.
Factorizing the role of a critical leucine residue in the binding of substrate to human 20alpha-hydroxysteroid dehydrogenase (AKR1C1): molecular modeling and kinetic studies of the Leu308Val mutant enzyme (2010), Bioorg. Med. Chem. Lett., 20, 5274-5276.

Search for more literature for 1.1.1.149

Cloned(Commentary)

Cloned (Comment)	Organism
expression in Escherichia coli	Homo sapiens

Crystallization (Commentary)

Crystallization (Comment)	Organism
docking model with substrates 5alpha-pregnane-3alpha,20alpha-diol and 5beta-pregnan-3alpha-ol-20-one. In the docked model of 5alpha-pregnane-3alpha,20alpha-diol the conformation of the steroid molecule is similar to that of 20alpha-hydroxyprogesterone in the crystal structure of the AKR1C1 complex where the steroid does not interact with the catalytic residues Tyr55 and His117. In the case of 5beta-pregnan-3alpha-ol-20-one the steroid interacts with the catalytic residue His117 and forms close contacts with Leu308	Homo sapiens

Crystallization (Comment)

Organism

docking model with substrates 5alpha-pregnane-3alpha,20alpha-diol and 5beta-pregnan-3alpha-ol-20-one. In the docked model of 5alpha-pregnane-3alpha,20alpha-diol the conformation of the steroid molecule is similar to that of 20alpha-hydroxyprogesterone in the crystal structure of the AKR1C1 complex where the steroid does not interact with the catalytic residues Tyr55 and His117. In the case of 5beta-pregnan-3alpha-ol-20-one the steroid interacts with the catalytic residue His117 and forms close contacts with Leu308

Homo sapiens

Protein Variants

Protein Variants	Comment	Organism
L308A	mutation renders the enzyme inactive towards the two substrates 5alpha-pregnane-3alpha,20alpha-diol and 5beta-pregnan-3alpha-ol-20-one	Homo sapiens
L308V	mutation improves the catalytic efficiency towards the two substrates 5alpha-pregnane-3alpha,20alpha-diol and 5beta-pregnan-3alpha-ol-20-one	Homo sapiens

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism
0.0004	-	5alpha-pregnane-3alpha,20alpha-diol	mutant L308V, pH 7.4, 25°C	Homo sapiens
0.0009	-	5alpha-pregnane-3alpha,20alpha-diol	wild-type, pH 7.4, 25°C	Homo sapiens
0.0045	-	5beta-Pregnan-3alpha-ol-20-one	wild-type, pH 7.4, 25°C	Homo sapiens
0.0062	-	5beta-Pregnan-3alpha-ol-20-one	mutant L308V, pH 7.4, 25°C	Homo sapiens
0.007	-	(S)-tetralol	wild-type, pH 7.4, 25°C	Homo sapiens
0.016	-	(S)-tetralol	mutant L308V, pH 7.4, 25°C	Homo sapiens
0.47	-	(S)-tetralol	mutant L308A, pH 7.4, 25°C	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q04828	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.
(S)-tetralol + NAD(P)+	-	Homo sapiens	3,4-dihydronaphthalen-1(2H)-one + NAD(P)H + H+	-	?
5alpha-pregnane-3alpha,20alpha-diol + NAD(P)+	-	Homo sapiens	3alpha-hydroxy-5alpha-pregnan-20-one + NAD(P)H + H+	-	?
5beta-pregnan-3alpha-ol-20-one + NAD(P)H + H+	-	Homo sapiens	5alpha-pregnan-3alpha,20alpha-diol + NAD(P)+	-	?

Synonyms

Synonyms	Comment	Organism
aldo-keto reductase family 1 member C1	-	Homo sapiens

kcat/KM [mM/s]

kcat/KM Value [1/mMs^-1]	kcat/KM Value Maximum [1/mMs^-1]	Substrate	Comment	Organism
0.0000007	-	5beta-Pregnan-3alpha-ol-20-one	wild-type, pH 7.4, 25°C	Homo sapiens
0.0000008	-	(S)-tetralol	mutant L308A, pH 7.4, 25°C	Homo sapiens
0.000013	-	(S)-tetralol	mutant L308V, pH 7.4, 25°C	Homo sapiens
0.000027	-	5beta-Pregnan-3alpha-ol-20-one	mutant L308V, pH 7.4, 25°C	Homo sapiens
0.00004	-	5alpha-pregnane-3alpha,20alpha-diol	wild-type, pH 7.4, 25°C	Homo sapiens
0.000062	-	(S)-tetralol	wild-type, pH 7.4, 25°C	Homo sapiens
0.00027	-	5alpha-pregnane-3alpha,20alpha-diol	mutant L308V, pH 7.4, 25°C	Homo sapiens