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

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

Research output: Contribution to journalArticlepeer-review


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
Issue number12
StatePublished - Mar 30 2011

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry
  • Biochemistry
  • Colloid and Surface Chemistry


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