Revealing atomic-scale molecular diffusion of a plant-transcription factor WRKY domain protein along DNA

Significance In transcription factors’ search for target genes, one-dimensional diffusion of the protein along DNA is essential. Experimentally, it remains challenging to resolve individual diffusional steps on DNA. Here, we report mainly all-atom equilibrium simulations a WRKY domain in association with and We demonstrate complete stepping cycle one base pair within microseconds, stochastic motions. Processive diffusions have been further sampled coarse-grained model. also found preferential DNA-strand protein, which becomes most prominent at specific binding, can be common small-domain proteins balance movements sequence recognition.