Brand  (β version)

PDB ID: 2IPJ

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Ligands
Code Name Style Show Link
SO4 Sulfate ion PoSSuM
NAP Nadp nicotinamide-adenine-dinucleotide phosphate PoSSuM
FFA (10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one PoSSuM
BME Beta-mercaptoethanol PoSSuM
EDO 1,2-ethanediol PoSSuM
Non-standard Residues
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Structure summary

Code : 2IPJ   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant Y24A in complex with NADP+ and epi-testosterone
Release Data : 2007-06-19
Compound :
mol_id molecule chains synonym
1 Aldo-keto reductase family 1 member C2 A,B Trans-1,2- dihydrobenzene-1,2-diol dehydrogenase, Type III 3- alpha-hydroxysteroid dehydrogenase, 3-alpha-HSD3, Chlordecone reductase homolog HAKRD, Dihydrodiol dehydrogenase/bile acid-binding protein, DD/BABP, Dihydrodiol dehydrogenase 2, DD2
ec: 1.-.-.-, 1.3.1.20, 1.1.1.213
mutation: Y24A
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: AKR1C2
expression_system_strain: BL21(DE3)pLys
expression_system_vector_type: plasmid
expression_system_plasmid: pGEX1lT
Authors : Faucher, F., Cantin, L., Pereira de Jesus-Tran, K., Luu-the, V., Labrie, F., Breton, R.
Keywords : 3a-HSD, AKR1C21, AKR, aldo-keto reductase, HSD, hydroxysteroid dehydrogenase, open conformation, epi-testosterone, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 1.800 Å )
Citation :

Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.

Faucher, F.,Cantin, L.,Pereira de Jesus-Tran, K.  et al.
(2007)  J.Mol.Biol.  369 : 525 - 540

PubMed: 17442338
DOI: 10.1016/j.jmb.2007.03.058

Reaction

Chain : A, B
UniProt : P52895 (AK1C2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a 3alpha-hydroxysteroid + NADP(+) = a 3-oxosteroid + NADPH + H(+) 1.1.1.357 PubMed:15929998, PubMed:17034817, PubMed:17442338, PubMed:8573067
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a 3alpha-hydroxysteroid + NAD(+) = a 3-oxosteroid + NADH + H(+) 1.1.1.357 PubMed:15929998, PubMed:17034817, PubMed:17442338, PubMed:8573067
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5alpha-androstane-3alpha,17beta-diol + NADP(+) = 17beta- hydroxy-5alpha-androstan-3-one + NADPH + H(+) - PubMed:10998348, PubMed:14672942, PubMed:19218247
right-to-left
5alpha-androstane-3alpha,17beta-diol + NAD(+) = 17beta- hydroxy-5alpha-androstan-3-one + NADH + H(+) 1.1.1.53 PubMed:10998348, PubMed:14672942
right-to-left PubMed:10998348
5alpha-androstane-3alpha,17beta-diol + NAD(+) = androsterone + NADH + H(+) - PubMed:14672942
left-to-right
17beta-estradiol + NADP(+) = estrone + NADPH + H(+) 1.1.1.62 PubMed:10998348
right-to-left
17beta-estradiol + NAD(+) = estrone + NADH + H(+) 1.1.1.62 PubMed:10998348
right-to-left
(20S)-hydroxypregn-4-en-3-one + NADP(+) = progesterone + NADPH + H(+) - PubMed:10998348
right-to-left
(20S)-hydroxypregn-4-en-3-one + NAD(+) = progesterone + NADH + H(+) - PubMed:10998348
right-to-left
androsterone + NADP(+) = 5alpha-androstan-3,17-dione + NADPH + H(+) 1.1.1.209 PubMed:10998348
left-to-right
(3beta,5alpha,17beta)-3-hydroxy-androstan-17-yl sulfate + NADP(+) = 5alpha-dihydrotestosterone sulfate + NADPH + H(+) - PubMed:19218247
right-to-left
(1R,2R)-1,2-dihydrobenzene-1,2-diol + NADP(+) = catechol + NADPH + H(+) 1.3.1.20 PubMed:8573067
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(S)-indan-1-ol + NAD(+) = indan-1-one + NADH + H(+) 1.1.1.112 PubMed:8573067
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(S)-indan-1-ol + NADP(+) = indan-1-one + NADPH + H(+) 1.1.1.112 PubMed:8573067
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