首页 | 本学科首页   官方微博 | 高级检索  
     


Molecular Dynamics Simulations of Rhodopsin Point Mutants at the Cytoplasmic Side of Helices 3 and 6
Authors:Arnau Cordomí  Eva Ramon  Pere Garriga  Juan J. Perez
Affiliation:1. Laboratori d'Enginyeria Molecular Departament d'Enginyeria Química , Universitat Politècnica de Catalunya , Barcelona , Spain;2. Centre de Biotecnologia Molecular Departament d'Enginyeria Quimica , Universitat Politècnica de Catalunya , Terrassa , Spain
Abstract:Abstract

The present work reports on a structural analysis carried out through different computer simulations of a set of rhodopsin mutants with differential functional features in regard to the wild type. Most of these mutants, whose experimental features had previously been reported [Ramon et al. J Biol Chem 282, 14272–14282 (2007)], were designed to perturb a network of electrostatic interactions located at the cytoplasmic sides of transmembrane helices 3 and 6. Geometric and energetic features derived from the detailed analysis of a series of molecular dynamics simulations of the different rhodopsin mutants, involving positions 134(3.49), 247(6.30), and 251(6.34), suggest that the protein structure is sensitive to these mutations through the local changes induced that extend further to the secondary structure of neighboring helices and, ultimately, to the packing of the helical bundle. Overall, the results obtained highlight the complexity of the analyzed network of electrostatic interactions where the effect of each mutation on protein structure can produce rather specific features.
Keywords:
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号