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Recognition templates for predicting adenylate-binding sites in proteins.
Zhao, S; Morris, G M; Olson, A J; Goodsell, D S.
Afiliação
  • Zhao S; Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA.
J Mol Biol ; 314(5): 1245-55, 2001 Dec 14.
Article em En | MEDLINE | ID: mdl-11743737
Recognition templates encapsulate the structural and energetic features for the specific recognition of a given ligand by a protein active site. These templates identify the major interactions used for specific recognition and may be used to find specific binding sites in proteins of unknown function. We present a grid-based method for deriving recognition templates for adenylate groups from a set of diverse nucleotide-binding proteins. The templates reveal the basis of specific binding of adenylate, including tight shape complementarity, specific hydrogen bonds, and underscoring the importance of a key steric contact for excluding guanylate from adenylate-specific sites. We demonstrate the utility of recognition templates in identifying specific adenylate-binding sites in a diverse set of dinucleotide-binding proteins.
Assuntos
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Base de dados: MEDLINE Assunto principal: Simulação por Computador / Proteínas / Monofosfato de Adenosina / Biologia Computacional / Mapeamento de Interação de Proteínas Idioma: En Ano de publicação: 2001 Tipo de documento: Article
Buscar no Google
Base de dados: MEDLINE Assunto principal: Simulação por Computador / Proteínas / Monofosfato de Adenosina / Biologia Computacional / Mapeamento de Interação de Proteínas Idioma: En Ano de publicação: 2001 Tipo de documento: Article