Crystal structure of the vitamin D nuclear receptor ligand binding domain in complex with a locked side chain analog of calcitriol |
| |
Authors: | Rochel Natacha Hourai Shinji Pérez-García Xenxo Rumbo Antonio Mourino Antonio Moras Dino |
| |
Institution: | Institut de Génétique et de Biologie Moléculaire et Cellulaire, Département de Biologie et de Génomique Structurales, Illkirch F-67400, France. |
| |
Abstract: | The crystal structures of vitamin D nuclear receptor (VDR) have revealed that all compounds are anchored by the same residues to the ligand binding pocket (LBP). Based on this observation, a synthetic analog with a locked side chain (21-nor-calcitriol-20(22),23-diyne) has been synthesized in order to gain in entropy energy with a predefined active side chain conformation. The crystal structure of VDR LBD bound to this locked side chain analogue while confirming the docking provides a structural basis for the activity of this compound. |
| |
Keywords: | Vitamin D nuclear receptor 1α 25(OH)2D3 21-Nor-calcitriol-20(22) 23-diyne Crystal structure |
本文献已被 ScienceDirect PubMed 等数据库收录! |