Exploring Flexibility of Progesterone Receptor Ligand Binding Domain Using Molecular Dynamics.

ABSTRACT: Progesterone receptor (PR), a member of nuclear receptor (NR) superfamily, plays a vital role for female reproductive tissue development, differentiation and maintenance. PR ligand, such as progesterone, induces conformation changes in PR ligand binding domain (LBD), thus mediates subsequent gene regulation cascades. PR LBD may adopt different conformations upon an agonist or an antagonist binding. These different conformations would trigger distinct transcription events. Therefore, the dynamics of PR LBD would be of general interest to biologists for a deep understanding of its structure-function relationship. However, no apo-form (non-ligand bound) of PR LBD model has been proposed either by experiments or computational methods so far. In this study, we explored the structural dynamics o

SUBMITTER: Zheng L 

PROVIDER: S-EPMC5100906 | biostudies-literature | 2016

REPOSITORIES: biostudies-literature