Simulation studies of the interactions between membrane proteins and detergents

被引:12
作者
Bond, PJ [1 ]
Cuthbertson, J [1 ]
Sansom, MSP [1 ]
机构
[1] Univ Oxford, Dept Biochem, Oxford OX1 3QU, England
基金
英国生物技术与生命科学研究理事会; 英国惠康基金;
关键词
detergent; glycophorin A (GpA); membrane protein; micelle; molecular dynamics (MD) simulation; OmpA;
D O I
10.1042/BST0330910
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Interactions between membrane proteins and detergents are important in biophysical and structural studies and are also biologically relevant in the context of folding and transport. Despite a paucity of high-resolution data on protein-detergent interactions, novel methods and increased computational power enable simulations to provide a means of understanding such interactions in detail. Simulations have been used to compare the effect of lipid or detergent on the structure and dynamics of membrane proteins. Moreover, some of the longest and most complex simulations to date have been used to observe the spontaneous formation of membrane protein-detergent micelles. Common mechanistic steps in the micelle self-assembly process were identified for both alpha-helical and beta-barrel membrane proteins, and a simple kinetic mechanism was proposed. Recently, simplified (i.e. coarse-grained) models have been utilized to follow long timescale transitions in membrane protein-detergent assemblies.
引用
收藏
页码:910 / 912
页数:3
相关论文
共 22 条
[1]   Structure of outer membrane protein A transmembrane domain by NMR spectroscopy [J].
Arora, A ;
Abildgaard, F ;
Bushweller, JH ;
Tamm, LK .
NATURE STRUCTURAL BIOLOGY, 2001, 8 (04) :334-338
[2]   Spontaneous formation of detergent micelles around the outer membrane protein OmpX [J].
Böckmann, RA ;
Caflisch, A .
BIOPHYSICAL JOURNAL, 2005, 88 (05) :3191-3204
[3]   MD simulations of spontaneous membrane protein/detergent micelle formation [J].
Bond, PJ ;
Cuthbertson, JM ;
Deol, SS ;
Sansom, MSP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (49) :15948-15949
[4]   The simulation approach to bacterial outer membrane proteins (Review) [J].
Bond, PJ ;
Sansom, MSP .
MOLECULAR MEMBRANE BIOLOGY, 2004, 21 (03) :151-161
[5]   Membrane protein dynamics versus environment:: Simulations of OmpA in a micelle and in a bilayer [J].
Bond, PJ ;
Sansom, MSP .
JOURNAL OF MOLECULAR BIOLOGY, 2003, 329 (05) :1035-1053
[6]   OmpA:: A pore or not a pore?: Simulation and modeling studies [J].
Bond, PJ ;
Faraldo-Gómez, JD ;
Sansom, MSP .
BIOPHYSICAL JOURNAL, 2002, 83 (02) :763-775
[7]  
Booth Paula J., 1999, Current Opinion in Structural Biology, V9, P115, DOI 10.1016/S0959-440X(99)80015-3
[8]   Molecular dynamics simulations of micelle formation around dimeric glycophorin A transmembrane helices [J].
Braun, R ;
Engelman, DM ;
Schulten, K .
BIOPHYSICAL JOURNAL, 2004, 87 (02) :754-763
[9]   Substrate-induced conformational changes of the perplasmic N-terminus of an outer-membrane transporter by site-directed spin labeling [J].
Fanucci, GE ;
Coggshall, KA ;
Cadieux, N ;
Kim, M ;
Kadner, RJ ;
Cafiso, DS .
BIOCHEMISTRY, 2003, 42 (06) :1391-1400
[10]   Lipid-protein interactions in DHPC micelles containing the integral membrane protein OmpX investigated by NMR spectroscopy [J].
Fernández, C ;
Hilty, C ;
Wider, G ;
Wüthrich, K .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2002, 99 (21) :13533-13537