5ICM

17beta-hydroxysteroid dehydrogenase type 14 in complex with a non-steroidal inhibitor

5ICM の概要

• エントリーDOI: 10.2210/pdb5icm/pdb
• 関連するPDBエントリー: 5EN4
• 分子名称: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... (6 entities in total)
• 機能のキーワード: hydroxysteroid dehydrogenase, inhibitor complex, oxidoreductase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm : Q9BPX1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29874.60

構造登録者

Bertoletti, N.,Braun, F.,Marchais-Oberwinkler, S.,Heine, A.,Klebe, G. (登録日: 2016-02-23, 公開日: 2016-07-13, 最終更新日: 2024-11-20)

主引用文献

Bertoletti, N.,Braun, F.,Lepage, M.,Moller, G.,Adamski, J.,Heine, A.,Klebe, G.,Marchais-Oberwinkler, S.
New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59:6961-6967, 2016

PubMed 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.

PubMed: 27362750
DOI: 10.1021/acs.jmedchem.6b00293

実験手法

X-RAY DIFFRACTION (1.68 Å)