Observatorio de I+D+i UPM

Memorias de investigación
Research Publications in journals:
Computational study of ligand binding in lipid transfer proteins: Structures, interfaces, and free energies of protein-lipid complexes
Year:2012
Research Areas
  • Physic chemistry
Information
Abstract
Plant nonspecific lipid transfer proteins (nsLTPs) bind a wide variety of lipids, which allows them to perform disparate functions. Recent reports on their multifunctionality in plant growth processes have posed new questions on the versatile binding abilities of these proteins. The lack of binding specificity has been customarily explained in qualitative terms on the basis of a supposed structural flexibility and nonspecificity of hydrophobic protein-ligand interactions. We present here a computational study of protein-ligand complexes formed between five nsLTPs and seven lipids bound in two different ways in every receptor protein. After optimizing geometries inmolecular dynamics calculations, we computed Poisson- Boltzmann electrostatic potentials, solvation energies, properties of the protein-ligand interfaces, and estimates of binding free energies of the resulting complexes. Our results provide the first quantitative information on the ligand abilities of nsLTPs, shed new light into protein-lipid interactions, and reveal new features which supplement commonly held assumptions on their lack of binding specificity.
International
Si
JCR
Si
Title
Journal of Computational Chemistry
ISBN
0192-8651
Impact factor JCR
4,583
Impact info
Datos JCR del año 2011
Volume
33
10.1002/jcc.23012
Journal number
22
From page
1831
To page
1844
Month
SIN MES
Ranking
Participants
  • Autor: Luis Fernandez Pacios (UPM)
  • Autor: Cristina Gomez Casado (UPM)
  • Autor: Leticia Tordesillas Villuendas (UPM)
  • Autor: Aranzazu Palacín Gómez (UPM)
  • Autor: Maria Rosa Sanchez-Monge Y Laguna de Rins (UPM)
  • Autor: Araceli Diaz Perales (UPM)
Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Biotecnología de Proteínas Vegetales
  • Centro o Instituto I+D+i: Centro de Biotecnología y Genómica de Plantas, CBGP
  • Departamento: Biotecnología
S2i 2020 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNCIDE 2011 (OTR-2011-0236)
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)