Literature summary for 1.1.1.149 extracted from

Dhagat, U.; Endo, S.; Sumii, R.; Hara, A.; El-Kabbani, O.
Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid (2008), J. Med. Chem., 51, 4844-4848.

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Cloned(Commentary)

Cloned (Comment)	Organism
expressed in Escherichia coli cells	Homo sapiens

Crystallization (Commentary)

Crystallization (Comment)	Organism
in ternary complex with NADP+ and 3,5-dichlorosalicylic acid, hanging drop vapour diffusion method, using 25% (v/v) polyethylene glycol monomethyl ether 550, 0.02 M zinc sulfate in 0.1 M MES buffer (pH 6.5)	Homo sapiens

Protein Variants

Protein Variants	Comment	Organism
H222S	the mutation in AKR1C1 results in a 10fold reduction in the potency of the inhibitor 3,5-dicholorosalicylic acid	Homo sapiens
L306	the mutation in AKR1C1 results in a 46fold reduction in the potency of the inhibitor 3,5-dicholorosalicylic acid	Homo sapiens
L308A	the mutation in AKR1C1 results in a 470fold reduction in the potency of the inhibitor 3,5-dicholorosalicylic acid	Homo sapiens
L54V	the mutation in AKR1C1 results in a 14fold reduction in the potency of the inhibitor 3,5-dicholorosalicylic acid	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
3,5-dichlorosalicylic acid	potent inhibitor	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q04828	-	-

Purification (Commentary)

Purification (Comment)	Organism
column chromatography, gel filtration	Homo sapiens

Synonyms

Synonyms	Comment	Organism
AKR1C1	-	Homo sapiens

Cofactor

Cofactor	Comment	Organism	Structure
NADP+	-	Homo sapiens

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0000059	-	3,5-dichlorosalicylic acid	wild type enzyme, in 0.1 M potassium phosphate buffer, pH 7.4	Homo sapiens
0.00027	-	3,5-dichlorosalicylic acid	mutant enzyme L306A, in 0.1 M potassium phosphate buffer, pH 7.4	Homo sapiens
0.00058	-	3,5-dichlorosalicylic acid	mutant enzyme H222S, in 0.1 M potassium phosphate buffer, pH 7.4	Homo sapiens
0.00085	-	3,5-dichlorosalicylic acid	mutant enzyme L54V, in 0.1 M potassium phosphate buffer, pH 7.4	Homo sapiens
0.0028	-	3,5-dichlorosalicylic acid	mutant enzyme L308A, in 0.1 M potassium phosphate buffer, pH 7.4	Homo sapiens

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Release 2023.1 (January 2023)