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

Overview

Journal Science

Specialty Science

Date 2012 Jun 2

PMID 22654060

Citations 242

Authors

Neil P King

William Sheffler

Michael R Sawaya

Breanna S Vollmar

John P Sumida

Ingemar Andre

Tamir Gonen

Todd O Yeates

David Baker

Affiliations

Soon will be listed here.

Abstract

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.

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