High thermodynamic stability of parametrically designed helical bundles

Huang, Po -Ssu; Oberdorfer, Gustav; Xu, Chunfu; Pei, Xue Y.; Nannenga, Brent L.; Rogers, Joseph M.; DiMaio, Frank; Gonen, Tamir; Luisi, Ben; Baker, David

doi:10.1126/science.1257481

High thermodynamic stability of parametrically designed helical bundles

Journal Article · Fri Oct 24 00:00:00 EDT 2014 · Science

DOI:https://doi.org/10.1126/science.1257481· OSTI ID:1344926

Huang, Po -Ssu ^[1]; Oberdorfer, Gustav ^[2]; Xu, Chunfu ^[3]; Pei, Xue Y. ^[4]; Nannenga, Brent L. ^[5]; Rogers, Joseph M. ^[6]; DiMaio, Frank ^[3]; Gonen, Tamir ^[5]; Luisi, Ben ^[4]; Baker, David ^[3]

Univ. of Washington, Seattle, WA (United States); DOE Office of Scientific and Technical Information (OSTI)
Univ. of Washington, Seattle, WA (United States); Univ. of Graz, Graz (Austria)
Univ. of Washington, Seattle, WA (United States)
Univ. of Cambridge, Cambridge (United Kingdom)
Howard Hughes Medical Institute, Ashburn, VA (United States)
Univ. of Cambridge, Cambridge (United Kingdom); Univ. of Tokyo, Tokyo (Japan)

Here we describe a procedure for designing proteins with backbones produced by varying the parameters in the Crick coiled coil–generating equations. Combinatorial design calculations identify low-energy sequences for alternative helix supercoil arrangements, and the helices in the lowest-energy arrangements are connected by loop building. We design an antiparallel monomeric untwisted three-helix bundle with 80-residue helices, an antiparallel monomeric right-handed four-helix bundle, and a pentameric parallel left-handed five-helix bundle. The designed proteins are extremely stable (extrapolated ΔG_fold > 60 kilocalories per mole), and their crystal structures are close to those of the design models with nearly identical core packing between the helices. The approach enables the custom design of hyperstable proteins with fine-tuned geometries for a wide range of applications.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Washington, Seattle, WA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1344926

Journal Information:: Science, Journal Name: Science Journal Issue: 6208 Vol. 346; ISSN 0036-8075

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

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