RING: networking interacting residues, evolutionary information and energetics in protein structures

Martin, Alberto J. M.; Vidotto, Michele; Boscariol, Filippo; Di Domenico, Tomas; Walsh, Ian; Tosatto, Silvio C. E.

Abstract

Residue interaction networks (RINs) have been used in the literature to describe the protein 3D structure as a graph where nodes represent residues and edges physico-chemical interactions, e. g. hydrogen bonds or van-der-Waals contacts. Topological network parameters can be calculated over RINs and have been correlated with various aspects of protein structure and function. Here we present a novel web server, RING, to construct physico-chemically valid RINs interactively from PDB files for subsequent visualization in the Cytoscape platform. The additional structure-based parameters secondary structure, solvent accessibility and experimental uncertainty can be combined with information regarding residue conservation, mutual information and residue-based energy scoring functions. Different visualization styles are provided to facilitate visualization and standard plugins can be used to calculate topological parameters in Cytoscape. A sample use case analyzing the active site of glutathione peroxidase is presented.

Más información

Título según WOS: ID WOS:000292554900020 Not found in local WOS DB
Título de la Revista: BIOINFORMATICS
Volumen: 27
Número: 14
Editorial: OXFORD UNIV PRESS
Fecha de publicación: 2011
Página de inicio: 2003
Página final: 2005
DOI:

10.1093/bioinformatics/btr191

Notas: ISI