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Literature summary for 1.3.1.3 extracted from

  • Di Costanzo, L.; Drury, J.E.; Christianson, D.W.; Penning, T.M.
    Structure and catalytic mechanism of human steroid 5beta-reductase (AKR1D1) (2009), Mol. Cell. Endocrinol., 301, 191-198.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.3.1.3

Crystallization (Commentary)

Crystallization (Comment) Organism
enzyme in binary complex with product NADP+, containing two monomers of AKR1D1, each of which consists of a 325-residue polypeptide chain that adopts an (alpha/beta)8-barrel fold, the AKR1D1-NADP+ complex adopts an extended anti-conformation, X-ray diffraction structure determination and analysis at 1.79 A resolution, comparison with other enzyme binary and tertiary ligand complex structures, overview Homo sapiens

Protein Variants

Protein Variants Comment Organism
additional information determination of AKR1D1 reaction mechanism by mutational analysis revealing that the 4-pro-R hydride is transferred from the re-face of the nicotinamide ring to C5 of the steroid substrate. E120, a unique substitution in the AKR catalytic tetrad, permits a deeper penetration of the steroid substrate into the active site to promote optimal reactant positioning. It participates with Y58 to create a superacidic oxyanion hole for polarization of the C3 ketone, no role for K87 in the proton relay, overview Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
cholest-4-en-3-one + NADPH + H+ Homo sapiens
-
 5beta-cholestan-3-one + NADP+
-
 ?
cortisone + NADPH + H+ Homo sapiens
-
 17,21-dihydroxy-5beta-pregnane-3,11,20-trione + NADP+
-
 ?
progesterone + NADPH + H+ Homo sapiens
-
 ?
-
 ?
testosterone + NADPH + H+ Homo sapiens
-
 ?
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens P51857
-
-

Reaction

Reaction Comment Organism Reaction ID
17,21-dihydroxy-5beta-pregnane-3,11,20-trione + NADP+ = cortisone + NADPH + H+ reaction mechanism, overview Homo sapiens
a
5beta-cholestan-3-one + NADP+ = cholest-4-en-3-one + NADPH + H+ reaction mechanism, overview Homo sapiens
a

Source Tissue

Source Tissue Comment Organism Textmining

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
cholest-4-en-3-one + NADPH + H+
-
 Homo sapiens 5beta-cholestan-3-one + NADP+
-
 ?
cortisone + NADPH + H+
-
 Homo sapiens 17,21-dihydroxy-5beta-pregnane-3,11,20-trione + NADP+
-
 ?
additional information AKR1D1 catalyzes reduction of DELTA4-ene double bonds in steroid hormones and bile acid precursors. Determination of reaction mechanism by mutational analysis revealing that the 4-pro-R hydride is transferred from the re-face of the nicotinamide ring to C5 of the steroid substrate. E120, a unique substitution in the AKR catalytic tetrad, permits a deeper penetration of the steroid substrate into the active site to promote optimal reactant positioning. It participates with Y58 to create a superacidic oxyanion hole for polarization of the C3 ketone, no role for K87 in the proton relay, overview Homo sapiens ?
-
 ?
progesterone + NADPH + H+
-
 Homo sapiens ?
-
 ?
testosterone + NADPH + H+
-
 Homo sapiens ?
-
 ?

Synonyms

Synonyms Comment Organism
AKR1D1
-
 Homo sapiens
aldo–keto reductase 1D1
-
 Homo sapiens
steroid 5beta-reductase
-
 Homo sapiens

Cofactor

Cofactor Comment Organism Structure
NADPH
-
 Homo sapiens