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Literature summary extracted from
- Structure of the G225P/G226P mutant of mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) ternary complex: implications for the binding of inhibitor and substrate (2009), Acta Crystallogr. Sect. D, 65, 257-265.
Cloned(Commentary)
| EC Number | Cloned (Comment) | Organism |
|---|---|---|
| 1.1.1.209 | recombinant wild-type and mutant enzymes expressed in Escherichia coli JM109 | Mus musculus |
Crystallization (Commentary)
| EC Number | Crystallization (Comment) | Organism |
|---|---|---|
| 1.1.1.209 | double mutant G225P/G226P of AKR1C21 in complex with the coenzyme NADP+ and the inhibitor hexoestrol, by hanging-drop vapour-diffusion method, at 2.1 A resolution. Overall fold of the mutant is similar to that of wild-type, apart from the loop region lining the active-site pocket, in which the two glycines at positions 225 and 226 are mutated to prolines which have a more rigid structure, resulting in a larger substrate-binding pocket. The mutation affects the conformation of the adjoining residues Tyr224 and Trp227, resulting in a further opening up of the active-site pocket while the catalytic residues remain unaffected. The inhibitor molecule is bound to the active site with one hydroxyl group pointing towards the catalytic residues, the bulky phenyl rings and the methyl groups of hexoestrol form van der Waals contacts with Trp227, Tyr224, Tyr55 and the nicotinamide ring of NADP+ | Mus musculus |
Protein Variants
| EC Number | Protein Variants | Comment | Organism |
|---|---|---|---|
| 1.1.1.209 | G225P/G226P | reduced affinity (Km) for both 3alpha- and 17alpha-hydroxysteroid substrates by up to 160fold, shows high selectivity for 5beta-pregnane-3alpha,20alpha-diol in the oxidation of the 3alpha-hydroxy group and, conversely, broad specificity for both 17alpha- and 17beta-hydroxysteroids | Mus musculus |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.1.1.209 | Hexoestrol | - |
Mus musculus |  |
KM Value [mM]
| EC Number | KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 1.1.1.209 | 0.0002 | - |
4-androstene-3,17-dione | wild-type | Mus musculus | |
| 1.1.1.209 | 0.0004 | - |
5alpha-Androstan-17alpha-ol-3-one | wild-type | Mus musculus | |
| 1.1.1.209 | 0.0004 | - |
5beta-androstan-17alpha-ol-3-one | wild-type | Mus musculus | |
| 1.1.1.209 | 0.0005 | - |
5alpha-pregnane-3alpha,20alpha-diol | wild-type | Mus musculus | |
| 1.1.1.209 | 0.0006 | - |
Epitestosterone | wild-type | Mus musculus | |
| 1.1.1.209 | 0.0006 | - |
5alpha-Androstan-3alpha-ol-17-one | wild-type | Mus musculus | |
| 1.1.1.209 | 0.0006 | - |
5beta-pregnane-3alpha,20alpha-diol | wild-type | Mus musculus | |
| 1.1.1.209 | 0.0009 | - |
4-androstene-3,17-dione | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.0013 | - |
5beta-androstan-17alpha-ol-3-one | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.0029 | - |
5beta-pregnane-3alpha,20alpha-diol | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.0048 | - |
5alpha-Androstan-17alpha-ol-3-one | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.0097 | - |
5alpha-Androstan-3alpha-ol-17-one | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.018 | - |
Epitestosterone | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.023 | - |
testosterone | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.027 | - |
5alpha-androstan-17beta-ol-3-one | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.08 | - |
5alpha-pregnane-3alpha,20alpha-diol | mutant G225P/G226P | Mus musculus | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 1.1.1.209 | Mus musculus | Q91WR5 | - |
- |
Purification (Commentary)
| EC Number | Purification (Comment) | Organism |
|---|---|---|
| 1.1.1.209 | recombinant wild-type and mutant enzymes purified to homogeneity | Mus musculus |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 1.1.1.209 | 4-androstene-3,17-dione + NADPH | - |
Mus musculus | ? + NADP+ | - |
? | |
| 1.1.1.209 | 5alpha-androstan-17alpha-ol-3-one + NADP+ | - |
Mus musculus | ? + NADPH | - |
? | |
| 1.1.1.209 | 5alpha-androstan-17beta-ol-3-one + NADP+ | wild-type shows no activity with 5alpha-androstan-17beta-ol-3-one | Mus musculus | 5alpha-androstan-3,17-dione + NADPH + H+ | - |
? | |
| 1.1.1.209 | 5alpha-androstan-3alpha-ol-17-one + NADPH | - |
Mus musculus | ? + NADP+ | - |
? | |
| 1.1.1.209 | 5alpha-pregnane-3alpha,20alpha-diol + NADP+ | - |
Mus musculus | ? + NADPH | - |
? | |
| 1.1.1.209 | 5beta-androstan-17alpha-ol-3-one + NADP+ | - |
Mus musculus | ? + NADPH | - |
? | |
| 1.1.1.209 | 5beta-pregnane-3alpha,20alpha-diol + NADP+ | - |
Mus musculus | ? + NADPH | - |
? | |
| 1.1.1.209 | epitestosterone | - |
Mus musculus | ? + NADPH | - |
? | |
| 1.1.1.209 | additional information | wild-type shows no activity with testosterone and 5alpha-androstan-17beta-ol-3-one | Mus musculus | ? | - |
? | |
| 1.1.1.209 | testosterone + NADP+ | mutant G225P/G226P, wild-type shows no activity with testosterone | Mus musculus | androst-4-en-3,17-dione + NADPH + H+ | - |
? | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 1.1.1.209 | 3(17)alpha-hydroxysteroid dehydrogenase | - |
Mus musculus |
| 1.1.1.209 | AKR1C21 | - |
Mus musculus |
Turnover Number [1/s]
| EC Number | Turnover Number Minimum [1/s] | Turnover Number Maximum [1/s] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 1.1.1.209 | 0.04 | - |
testosterone | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.055 | - |
5beta-androstan-17alpha-ol-3-one | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.073 | - |
5alpha-Androstan-3alpha-ol-17-one | wild-type | Mus musculus | |
| 1.1.1.209 | 0.105 | - |
5alpha-pregnane-3alpha,20alpha-diol | wild-type | Mus musculus | |
| 1.1.1.209 | 0.1367 | - |
4-androstene-3,17-dione | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.14 | - |
5beta-androstan-17alpha-ol-3-one | wild-type | Mus musculus | |
| 1.1.1.209 | 0.145 | - |
5alpha-Androstan-17alpha-ol-3-one | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.15 | - |
5alpha-pregnane-3alpha,20alpha-diol | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.167 | - |
4-androstene-3,17-dione | wild-type | Mus musculus | |
| 1.1.1.209 | 0.167 | - |
5alpha-Androstan-17alpha-ol-3-one | wild-type | Mus musculus | |
| 1.1.1.209 | 0.183 | - |
5beta-pregnane-3alpha,20alpha-diol | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.2167 | - |
5beta-pregnane-3alpha,20alpha-diol | wild-type | Mus musculus | |
| 1.1.1.209 | 0.2167 | - |
5alpha-Androstan-3alpha-ol-17-one | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.25 | - |
Epitestosterone | mutant G225P/G226P | Mus musculus | |
| 1.1.1.209 | 0.3 | - |
Epitestosterone | wild-type | Mus musculus | |
| 1.1.1.209 | 0.383 | - |
5alpha-androstan-17beta-ol-3-one | mutant G225P/G226P | Mus musculus | |
Cofactor
| EC Number | Cofactor | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.1.1.209 | NADP+ | - |
Mus musculus | |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 1.1.1.209 | 0.00026 | - |
wild-type | Mus musculus | Hexoestrol | |
| 1.1.1.209 | 0.0006 | - |
mutant G225P/G226P | Mus musculus | Hexoestrol | |
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