Brand  (β version)

PDB ID: 3CAV

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Ligands
Code Name Style Show Link
NAP Nadp nicotinamide-adenine-dinucleotide phosphate PoSSuM
CI2 (5beta)-pregnane-3,20-dione PoSSuM
BME Beta-mercaptoethanol PoSSuM
EDO 1,2-ethanediol PoSSuM
Non-standard Residues
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Structure summary

Code : 3CAV   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-pregnan-3,20-dione
Release Data : 2008-07-29
Compound :
mol_id molecule chains synonym
1 3-oxo-5-beta-steroid 4-dehydrogenase A,B Delta(4)-3-ketosteroid 5-beta-reductase, Aldo-keto reductase family 1 member D1
ec: 1.3.1.3
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens Human Escherichia coli
gene: AKR1D1, SRD5B1
expression_system_strain: BL21(DE3)pLys
expression_system_vector_type: plasmid
expression_system_plasmid: pGEX6P1
Authors : Faucher, F., Cantin, L., Breton, R.
Keywords : 5b-reductase, 5beta-reductase, 5b-red, AKR1D1, AKR, aldo-keto reductase, NADP, androstenedione. NADPH, Bile acid catabolism, Cytoplasm, Disease mutation, Lipid metabolism, Oxidoreductase, Steroid metabolism
Exp. method : X-RAY DIFFRACTION ( 1.900 Å )
Citation :

The crystal structure of human Delta4-3-ketosteroid 5beta-reductase defines the functional role of the residues of the catalytic tetrad in the steroid double bond reduction mechanism.

Faucher, F.,Cantin, L.,Luu-The, V.  et al.
(2008)  Biochemistry  47 : 8261 - 8270

PubMed: 18624455
DOI: 10.1021/bi800572s

Reaction

Chain : A, B
UniProt : P51857 (AK1D1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
5beta-cholestan-3-one + NADP(+) = cholest-4-en-3-one + H(+) + NADPH 1.3.1.3 PubMed:18407998, PubMed:21255593
right-to-left PubMed:18407998
4,5beta-dihydrocortisone + NADP(+) = cortisone + H(+) + NADPH 1.3.1.3 PubMed:18407998, PubMed:20522910, PubMed:21255593
right-to-left PubMed:18407998
cortisol + H(+) + NADPH = 5beta-dihydrocortisol + NADP(+) - PubMed:21255593
left-to-right
corticosterone + H(+) + NADPH = 5beta-dihydrocorticosterone + NADP(+) - PubMed:21255593
left-to-right
7alpha,12alpha-dihydroxycholest-4-en-3-one + H(+) + NADPH = 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one + NADP(+) - PubMed:21255593
left-to-right
7alpha-hydroxycholest-4-en-3-one + H(+) + NADPH = 7alpha- hydroxy-5beta-cholestan-3-one + NADP(+) - PubMed:20522910, PubMed:21255593, PubMed:7508385
left-to-right PubMed:21255593
epitestosterone + H(+) + NADPH = 5beta-dihydroepitestosterone + NADP(+) - PubMed:21255593
left-to-right
androst-4-ene-3,17-dione + H(+) + NADPH = 5beta-androstane- 3,17-dione + NADP(+) - PubMed:21255593
left-to-right
H(+) + NADPH + progesterone = 5beta-pregnan-3,20-dione + NADP(+) - PubMed:11342103, PubMed:21255593
left-to-right PubMed:21255593
21-hydroxyprogesterone + H(+) + NADPH = 5beta- dihydrodeoxycorticosterone + NADP(+) - PubMed:21255593
left-to-right
aldosterone + H(+) + NADPH = 5beta-dihydroaldosterone + NADP(+) - PubMed:11342103, PubMed:21255593
-
17beta-hydroxyandrosta-1,4-dien-3-one + H(+) + NADPH = 17beta- hydroxy-5beta-androst-1-en-3-one + NADP(+) - PubMed:21255593
left-to-right
17beta-hydroxyestr-4-en-3-one + H(+) + NADPH = 17beta-hydroxy- 5beta-estran-3-one + NADP(+) - PubMed:21255593
left-to-right
5beta-dihydrotestosterone + NADP(+) = H(+) + NADPH + testosterone 1.3.1.3 PubMed:11342103, PubMed:20522910, PubMed:21255593, PubMed:7508385
-
androst-4-ene-3,11,17-trione + H(+) + NADPH = 17beta- hydroxyandrost-4-ene-3,11-dione + NADP(+) - PubMed:11342103
left-to-right PubMed:21255593