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Computational design of self-assembling protein nanomaterials with atomic level accuracy.

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.

SUBMITTER: King NP

PROVIDER: S-EPMC4138882 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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Computational design of self-assembling protein nanomaterials with atomic level accuracy.

King Neil P NP Sheffler William W Sawaya Michael R MR Vollmar Breanna S BS Sumida John P JP André Ingemar I Gonen Tamir T Yeates Todd O TO Baker David D

Science (New York, N.Y.) 20120601 6085

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 compl ...[more]

PMID: 22654060

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