Brand  (β version)

PDB ID: 6CGE

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Ligands
Code Name Style Show Link
F0D 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide PoSSuM
NAP Nadp nicotinamide-adenine-dinucleotide phosphate PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 6CGE   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of human 17beta-HSD type 1 in ternary complex with PBRM and NADP+
Release Data : 2019-01-16
Compound :
mol_id molecule chains synonym
1 Estradiol 17-beta-dehydrogenase 1 A,B 17-beta-hydroxysteroid dehydrogenase type 1,17-beta-HSD 1,20 alpha-hydroxysteroid dehydrogenase,20-alpha-HSD,E2DH,Placental 17-beta-hydroxysteroid dehydrogenase,Short chain dehydrogenase/reductase family 28C member 1
ec: 1.1.1.62
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: HSD17B1, E17KSR, EDH17B1, EDH17B2, EDHB17, SDR28C1
expression_system_cell_line: SF9
expression_system_atcc_number: CRL-1711
Authors : Li, T., Lin, S.X.
Keywords : Inhibitor, Complex, Hydroxysteroid Dehydrogenase, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.2000 Å )
Citation :

Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide.

Li, T.,Maltais, R.,Poirier, D.  et al.
(2018)  J Phys Chem Lett  9 : 5275 - 5280

PubMed: 30148957
DOI: 10.1021/acs.jpclett.8b02225

Reaction

Chain : A, B
UniProt : P14061 (DHB1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
17beta-estradiol + NAD(+) = estrone + H(+) + NADH 1.1.1.62 PubMed:8994190
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17beta-estradiol + NADP(+) = estrone + H(+) + NADPH 1.1.1.62 UniProtKB:P51656
right-to-left
NADP(+) + testosterone = androst-4-ene-3,17-dione + H(+) + NADPH 1.1.1.51 UniProtKB:P51656
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