Artículo
Network analysis of dynamically important residues in protein structures mediating ligand-binding conformational changes
Saldaño, Tadeo Enrique
; Tosatto, Silvio C. E.; Parisi, Gustavo Daniel
; Fernández Alberti, Sebastián
![Icon](/themes/CONICETDigital/images/conicet.png)
![Icon](/themes/CONICETDigital/images/conicet.png)
![Icon](/themes/CONICETDigital/images/conicet.png)
Fecha de publicación:
07/2019
Editorial:
Springer
Revista:
European Biophysics Journal With Biophysics Letters
ISSN:
0175-7571
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
According to the generalized conformational selection model, ligand binding involves the co-existence of at least two conformers with different ligand-affinities in a dynamical equilibrium. Conformational transitions between them should be guaranteed by intramolecular vibrational dynamics associated to each conformation. These motions are, therefore, related to the biological function of a protein. Positions whose mutations are found to alter these vibrations the most can be defined as key positions, that is, dynamically important residues that mediate the ligand-binding conformational change. In a previous study, we have shown that these positions are evolutionarily conserved. They correspond to buried aliphatic residues mostly localized in regular structured regions of the protein like β-sheets and α-helices. In the present paper, we perform a network analysis of these key positions for a large dataset of paired protein structures in the ligand-free and ligand-bound form. We observe that networks of interactions between these key positions present larger and more integrated networks with faster transmission of the information. Besides, networks of residues result that are robust to conformational changes. Our results reveal that the conformational diversity of proteins seems to be guaranteed by a network of strongly interconnected key positions rather than individual residues.
Archivos asociados
Licencia
Identificadores
Colecciones
Articulos(SEDE CENTRAL)
Articulos de SEDE CENTRAL
Articulos de SEDE CENTRAL
Citación
Saldaño, Tadeo Enrique; Tosatto, Silvio C. E.; Parisi, Gustavo Daniel; Fernández Alberti, Sebastián; Network analysis of dynamically important residues in protein structures mediating ligand-binding conformational changes; Springer; European Biophysics Journal With Biophysics Letters; 48; 6; 7-2019; 559-568
Compartir
Altmétricas