Computational design of the sequence and structure of a protein-binding peptide

Deanne W. Sammond, Dustin E. Bosch, Glenn Butterfoss, Carrie Purbeck, Mischa MacHius, David P. Siderovski, Brian Kuhlman

Research output: Contribution to journalArticle

Abstract

The de novo design of protein-binding peptides is challenging because it requires the identification of both a sequence and a backbone conformation favorable for binding. We used a computational strategy that iterates between structure and sequence optimization to redesign the C-terminal portion of the RGS14 GoLoco motif peptide so that it adopts a new conformation when bound to Gαi1. An X-ray crystal structure of the redesigned complex closely matches the computational model, with a backbone root-mean-square deviation of 1.1 Å.

Original languageEnglish (US)
Pages (from-to)4190-4192
Number of pages3
JournalJournal of the American Chemical Society
Volume133
Issue number12
DOIs
StatePublished - Mar 30 2011

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Protein Binding
Peptides
Conformations
Crystal structure
X-Rays
X rays

ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Sammond, D. W., Bosch, D. E., Butterfoss, G., Purbeck, C., MacHius, M., Siderovski, D. P., & Kuhlman, B. (2011). Computational design of the sequence and structure of a protein-binding peptide. Journal of the American Chemical Society, 133(12), 4190-4192. https://doi.org/10.1021/ja110296z

Computational design of the sequence and structure of a protein-binding peptide. / Sammond, Deanne W.; Bosch, Dustin E.; Butterfoss, Glenn; Purbeck, Carrie; MacHius, Mischa; Siderovski, David P.; Kuhlman, Brian.

In: Journal of the American Chemical Society, Vol. 133, No. 12, 30.03.2011, p. 4190-4192.

Research output: Contribution to journalArticle

Sammond, DW, Bosch, DE, Butterfoss, G, Purbeck, C, MacHius, M, Siderovski, DP & Kuhlman, B 2011, 'Computational design of the sequence and structure of a protein-binding peptide', Journal of the American Chemical Society, vol. 133, no. 12, pp. 4190-4192. https://doi.org/10.1021/ja110296z
Sammond, Deanne W. ; Bosch, Dustin E. ; Butterfoss, Glenn ; Purbeck, Carrie ; MacHius, Mischa ; Siderovski, David P. ; Kuhlman, Brian. / Computational design of the sequence and structure of a protein-binding peptide. In: Journal of the American Chemical Society. 2011 ; Vol. 133, No. 12. pp. 4190-4192.
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