Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy

Journal Article · Thu Sep 17 00:00:00 EDT 2015 · Science

DOI:https://doi.org/10.1126/science.1219364· OSTI ID:1045689

King, Neil P.; Sheffler, William; Sawaya, Michael R.; Vollmar, Breanna S.; Sumida, John P.; André, Ingemar; Gonen, Tamir; Yeates, Todd O.; Baker, David ^[1]

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1. UWASH

We describe a general computational method for designing proteins that self-assemble to a desired symmetric architecture. Protein building blocks are docked together symmetrically to identify complementary packing arrangements, and low-energy protein-protein interfaces are then designed between the building blocks in order to drive self-assembly. We used trimeric protein building blocks to design a 24-subunit, 13-nm diameter complex with octahedral symmetry and a 12-subunit, 11-nm diameter complex with tetrahedral symmetry. The designed proteins assembled to the desired oligomeric states in solution, and the crystal structures of the complexes revealed that the resulting materials closely match the design models. The method can be used to design a wide variety of self-assembling protein nanomaterials.

• Research Organization: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
• Sponsoring Organization: NIHDOE - BIOLOGICAL AND ENVIRONMENTAL RESEARCHOTHER
• OSTI ID: 1045689
• Journal Information: Science, Vol. 336, Issue 06, 2012; ISSN 0036-8075
• Country of Publication: United States
• Language: ENGLISH