Computational Characterization of Multistep Opening Mechanism and Heterogeneous Closing Pathways of Periplasmic Binding protein Ps_PtxB
Periplasmic binding proteins (PBPs) undergo large-scale domain opening and closing during substrate recognition, capture, and delivery. Although ligand-binding mechanisms in PBP have been extensively discussed in terms of conformational selection and induced fit, less is known about how a ligand-depleted closed confo...