Computationally designed symmetric protein building blocks for synthetic biochemistry

This projects aims at using computational methods to design novel symmetric proteins. While these proteins are interesting for investigating protein evolution and folding or improve protein design methods, the goal is to use them as building blocks to create innovative protein complexes with novel functionality. The work will be divided in several work packages each focusing on a unique application. First of all we will focus on the creation and validation of protein building blocks with different symmetries, which can self assemble according their inherent symmetry. Such proteins are ideal scaffolds for binding artificial cofactors with a similar inherent symmetry. Using computational protein design, such complexes will be designed to incorporate symmetric polyoxometalates and organometalic coordination complexes. While such molecules are already catalytically and optically active with a variety of putative applications, the creation of a protein hybrid material will even broaden the opportunities. In parallel we will utilize the self-assembling nature of the symmetrical protein building blocks to create protein based structures such as nano-sized vessels, layers or crystalline material. While the vessels could serve a biomedical purpose such as drug delivery or antigen presenting vaccines, incorporation of the artificial cofactors in the layers or crystalline material will yield a hybrid material with opportunities for green chemistry and catalysis.