The structural analysis of protein ligand binding sites can provide information relevant for assigning functions to unknown proteins, to guide the drug discovery process and to infer relations among distant protein folds. Previous approaches to the comparative analysis of binding pockets have usually been focused either on the ligand or the protein component. Even though several useful observations have been made with these approaches they both have limitations. In the former case the analysis is restricted to binding pockets interacting with similar ligands, while in the latter it is difficult to systematically check whether the observed structural similarities have a functional significance.

Ausiello, G., Gherardini, P.F., Gatti, E., Incani, O., & Helmer-Citterich, M. (2009). Structural motifs recurring in different folds recognize the same ligand fragments. BMC BIOINFORMATICS, 10, 182 [10.1186/1471-2105-10-182].

Structural motifs recurring in different folds recognize the same ligand fragments

AUSIELLO, GABRIELE;HELMER CITTERICH, MANUELA
2009

Abstract

The structural analysis of protein ligand binding sites can provide information relevant for assigning functions to unknown proteins, to guide the drug discovery process and to infer relations among distant protein folds. Previous approaches to the comparative analysis of binding pockets have usually been focused either on the ligand or the protein component. Even though several useful observations have been made with these approaches they both have limitations. In the former case the analysis is restricted to binding pockets interacting with similar ligands, while in the latter it is difficult to systematically check whether the observed structural similarities have a functional significance.
Pubblicato
Rilevanza internazionale
Articolo
Sì, ma tipo non specificato
Settore BIO/11
English
Models, Molecular; Protein Structure, Tertiary; Protein Folding; Peptide Fragments; Proteins; Databases, Protein; Protein Binding; Ligands; Binding Sites; Algorithms
Ausiello, G., Gherardini, P.F., Gatti, E., Incani, O., & Helmer-Citterich, M. (2009). Structural motifs recurring in different folds recognize the same ligand fragments. BMC BIOINFORMATICS, 10, 182 [10.1186/1471-2105-10-182].
Ausiello, G; Gherardini, P; Gatti, E; Incani, O; HELMER CITTERICH, M
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2108/15049
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