Protein environment – cofactor interactions in redox protein systems

Abstract

The interactions between the enclosed protein environment and cofactors are crucial in understanding redox protein systems. The redox potential (Em) is a key parameter of all redox active proteins and is easily accessible in experimental and computational studies. By advanced computational methods, this research examined in-depth the complex relationship between a confined protein system and its cofactor within a bioinspired protein scaffold and found multiple contributing factors. The Em values were dissected to identify interactions in heme proteins that contribute to various energy terms.