5ICS

Crystal structure of 17beta-hydroxysteroid dehydrogenase type 14 apoenzyme.

Summary for 5ICS

Entry DOI	10.2210/pdb5ics/pdb
Related	5EN4
Descriptor	17-beta-hydroxysteroid dehydrogenase 14 (2 entities in total)
Functional Keywords	apoenzyme, hydroxysteroid dehydrogenase, oxidoreductase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : Q9BPX1
Total number of polymer chains	4
Total formula weight	114674.87
Authors	Bertoletti, N.,Marchais-Oberwinkler, S.,Heine, A.,Klebe, G. (deposition date: 2016-02-23, release date: 2016-07-13, Last modification date: 2024-11-13)
Primary citation	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 Cited by 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 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.52 Å)

Structure validation