MD investigation on the binding of microphthalmia-associated transcription factor with DNA

MD investigation on the binding of microphthalmia-associated transcription factor with DNA

Blog Article

As a main regulator of melanocyte development and an key melanoma oncogene, microphthalmia-associated transcription factor (MITF) is one of the proteins in the basic helix-loop-helix zipper (bHLHZip) transcription factor family.The study on Prep Pads the detailed binding specificity of the MITF/DNA complex has been a challenge.MITF-DNA interaction details and energetics information at the atomic level are still poorly understood.Focused on two specific MITF/DNA complexes (MITF/E-box and MITF/M-box), molecular dynamics (MD) simulations and binding energy calculations were carried out to investigate the interaction profile of protein/DNA complex.Detailed free energy information and per-residue energy decomposition are provided.

The results illuminate that the protein-DNA interactions can enhance the stability of both MITF and two DNAs.Residue N242 in the loop region, besides four residues previously found (R214, K-Star Parts R216, R217 and R240), is proposed for the first time as the crucial determinants for MITF and E-box/M-box binding.Our data provide deep insights to understand the interactions of bHLHzip transcription factor proteins with DNA motifs.