RevErbα Preferentially deforms DNA by induced fit

Using free-energy simulations, we have shown that RevErbα-induced DNA deformation preferentially occurs by induced fit rather than by conformational selection, even though the DNA is only slightly distorted in the complex. Our study shows that information on the sequence of binding events is needed to establish whether conformational selection or induced fit is operative, and that the presence of multiple apo-state structures might not be enough to distinguish between these binding models. Conformational selection or induced fit? Using free-energy simulations, we show that DNA deformation preferentially occurs after RevErbα binding, thus indicating that RevErbα-induced DNA distortions occur by induced fit. Our study demonstrates that multiple apo-state structures might not be sufficient to determine a binding model.