Computational design of the sequence and structure of a protein-binding peptide.
J Am Chem Soc
; 133(12): 4190-2, 2011 Mar 30.
Article
em En
| MEDLINE
| ID: mdl-21388199
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 Gα(i1). 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.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Peptídeos
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Simulação por Computador
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Subunidades alfa Gi-Go de Proteínas de Ligação ao GTP
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Biologia Computacional
Idioma:
En
Ano de publicação:
2011
Tipo de documento:
Article