 |
PDBsum entry 5jsf
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Oxidoreductase
|
PDB id
|
|
|
|
5jsf
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
References listed in PDB file
|
|
|
Key reference
|
|
|
Title
|
|
New insights into human 17β-Hydroxysteroid dehydrogenase type 14: first crystal structures in complex with a steroidal ligand and with a potent nonsteroidal inhibitor.
|
|
|
Authors
|
|
N.Bertoletti,
F.Braun,
M.Lepage,
G.Möller,
J.Adamski,
A.Heine,
G.Klebe,
S.Marchais-Oberwinkler.
|
|
|
Ref.
|
|
J Med Chem, 2016,
59,
6961-6967.
[DOI no: ]
|
|
|
PubMed id
|
|
|
|
|
|
Abstract
|
|
|
17β-HSD14 is a SDR enzyme able to oxidize estradiol and 5-androstenediol using
NAD(+). We determined the crystal structure of this human enzyme as the holo
form and as ternary complexes with estrone and with the first potent,
nonsteroidal inhibitor. The structures reveal a conical, rather large and
lipophilic binding site and are the starting point for structure-based inhibitor
design. The two natural variants (S205 and T205) were characterized and adopt a
similar structure.
|
|
|
|
|
|
|
