MeCP2 binds to methylated DNA and regulates the process of gene silencing. The MBD of MeCP2 is the main domain that interacts with the methylated cytosine DNA bases. There are both direct hydrophobic interactions and indirect hydrophilic interactions (involving water molecules). Also, it should be mentioned that MeCP2 is a multifunctional nuclear protein where it is involved in chromatin structure, RNA splicing and transcription regulation, outside of the MBD.
Interesting features that assist in the affinity between the protein and DNA structures were outlined. The colour codes (unless specified) are as follows: green=carbon, blue=nitrogen, red=oxygen, orange=phosphorus, yellow and brown=hydrogen bonds.
Recent advances in MeCP2 structure and function. DOI: 10.1139/o08-115
MeCP2 binding to DNA depends upon hydration at methyl-CpG. DOI: https://doi.org/10.1016/j.molcel.2007.12.028
Binding analysis of methyl-CpG binding domain of MeCP2 and Rett Syndrome mutations. DOI: 10.1021/acschembio.6b00450
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