1.1.1.64: testosterone 17beta-dehydrogenase (NADP+)

This is an abbreviated version, for detailed information about testosterone 17beta-dehydrogenase (NADP+), go to the full flat file.

Reaction

testosterone
+
NADP+
=
androstenedione
+
NADPH
+
H+

Synonyms

17-ketoreductase, 17beta-HSD, 17beta-HSD 3, 17beta-HSD type 3, 17beta-HSD type 5, 17beta-HSD-3, 17beta-HSD1, 17beta-HSD3, 17beta-HSD4, 17beta-hydroxysteroid dehydrogenase, 17beta-hydroxysteroid dehydrogenase 3, 17beta-hydroxysteroid dehydrogenase type 3, 17beta-hydroxysteroid dehydrogenase type 5, 17beta-hydroxysteroid dehydrogenases type 3, 17betaHSD3, 3beta-hydroxysteroid dehydrogenase type 3, AKR1C3, More, NADP-dependent testosterone-17beta-oxidoreductase, type 3 17beta-HSD, type 3 17beta-hydroxysteroid dehydrogenase, type 5 beta-hydroxysteroid dehydrogenase

ECTree

     1 Oxidoreductases
         1.1 Acting on the CH-OH group of donors
             1.1.1 With NAD+ or NADP+ as acceptor
                1.1.1.64 testosterone 17beta-dehydrogenase (NADP+)

Crystallization

Crystallization on EC 1.1.1.64 - testosterone 17beta-dehydrogenase (NADP+)

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Crystallization/COMMENTARY
ORGANISM
UNIPROT
LITERATURE
10 ns molecular dynamics simulations of inhibitor bound to isofrom AKR1C3. Binding could induce conformational changes to both inhibitor and enzyme. The compound presumably assumes a stable, energetically favored, planar conformation
-
docking of inhibitors (2E)-3-(4-methylphenyl)-2-[4-(methylsulfonyl)phenyl]prop-2-enoic acid, (2E)-3-(4-ethylphenyl)-2-[4-(methylsulfonyl)phenyl]prop-2-enoic acid, (2E)-3-(4-bromophenyl)-2-[4-(methylsulfonyl)phenyl]prop-2-enoic acid and (2E)-3-[4-(methylsulfanyl)phenyl]-2-[4-(methylsulfonyl)phenyl]prop-2-enoic acid to crystal structure. Compounds occupy a similar position of the active site as the co-crystallized indomethacin, with the Aryl1 overlapping with the p-chlorobenzoyl moiety of the indomethacin and the Aryl2 overlapping with an indole part of the indomethacin
-
in complex with 3-phenoxybenzoic acid, to 1.68 A resolution, space group P212121
-
in complex with inhibitor 1-(4-[[(2R)-2-methylpiperidin-1-yl]sulfonyl]phenyl)-1,3-dihydro-2H-pyrrol-2-one. The 2-pyrrolidinone does not interact directly with residues in the oxyanion hole
-
in complex with inhibitor 3-[[4-(trifluoromethyl)phenyl]amino]benzoic acid. Compound adopts a similar binding orientation as flufenamic acid, however, its phenylamino ring projects deeper into a subpocket and confers selectivity over the other AKR1C isoforms
-