Treffer: Modeling and simulation of ion-coupled and ATP-driven membrane proteins.

Title:
Modeling and simulation of ion-coupled and ATP-driven membrane proteins.
Authors:
Faraldo-Gómez JD; Theoretical Molecular Biophysics Group, Max Planck Institute of Biophysics, Max-von-Laue-Str 3, 60438 Frankfurt am Main, Germany., Forrest LR
Source:
Current opinion in structural biology [Curr Opin Struct Biol] 2011 Apr; Vol. 21 (2), pp. 173-9. Date of Electronic Publication: 2011 Feb 16.
Publication Type:
Journal Article; Review
Language:
English
Journal Info:
Publisher: Elsevier Science Country of Publication: England NLM ID: 9107784 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-033X (Electronic) Linking ISSN: 0959440X NLM ISO Abbreviation: Curr Opin Struct Biol Subsets: MEDLINE
Imprint Name(s):
Publication: <2003->: London : Elsevier Science
Original Publication: London, UK : Current Biology, 1991-
MeSH Terms:
Computer Simulation* , Models, Molecular*, Adenosine Triphosphate/*metabolism , Ions/*metabolism , Membrane Proteins/*chemistry , Membrane Proteins/*metabolism, ATP Synthetase Complexes/chemistry ; ATP Synthetase Complexes/metabolism ; Binding Sites ; Protein Binding ; Protein Conformation ; Substrate Specificity
Substance Nomenclature:
0 (Ions)
0 (Membrane Proteins)
8L70Q75FXE (Adenosine Triphosphate)
EC 2.7.4.- (ATP Synthetase Complexes)
Entry Date(s):
Date Created: 20110222 Date Completed: 20110713 Latest Revision: 20131121
Update Code:
20250114
DOI:
10.1016/j.sbi.2011.01.013
PMID:
21333528
Database:
MEDLINE

Weitere Informationen

The molecular mechanisms of membrane proteins that are activated either by ions or by ATP are just beginning to come into focus, as long-awaited structural data are revealed. This information is being leveraged and supplemented to great effect by molecular modeling and computer simulation studies. Important examples include the homology modeling of eukaryotic protein structures based on distantly related templates, as well as the use of internal structural symmetry for modeling different states in conformational cycles. Molecular simulation studies have elucidated the location and coordination structure of ion binding sites, and explained their selectivity, while also providing tantalizing insights into the mechanisms that couple conformational change to ion translocation or ATP hydrolysis.
(Copyright © 2011 Elsevier Ltd. All rights reserved.)