5ICM
17beta-hydroxysteroid dehydrogenase type 14 in complex with a non-steroidal inhibitor
Summary for 5ICM
| Entry DOI | 10.2210/pdb5icm/pdb |
| Related | 5EN4 |
| Descriptor | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... (6 entities in total) |
| Functional Keywords | hydroxysteroid dehydrogenase, inhibitor complex, oxidoreductase |
| Biological source | Homo sapiens (Human) |
| Cellular location | Cytoplasm : Q9BPX1 |
| Total number of polymer chains | 1 |
| Total formula weight | 29874.60 |
| Authors | Bertoletti, N.,Braun, F.,Marchais-Oberwinkler, S.,Heine, A.,Klebe, G. (deposition date: 2016-02-23, release date: 2016-07-13, Last modification date: 2024-01-10) |
| 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: 27362750DOI: 10.1021/acs.jmedchem.6b00293 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.68 Å) |
Structure validation
Download full validation report
