Folding and stretching in a go-like model of titin

被引：56
作者：
Cieplak, M
Hoang, TX
Robbins, MO
机构：
[1] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland
[2] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA
[3] SISSA, Int Sch Adv Studies, I-34014 Trieste, Italy
来源：
PROTEINS-STRUCTURE FUNCTION AND GENETICS | 2002年 / 49卷 / 01期
关键词：
mechanical stretching of proteins; protein folding; Go model; molecular dynamics; atomic force microscopy; titin;
D O I：
10.1002/prot.10087
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：
Mechanical stretching of the 127 domain of titin and of its double and triple repeats are studied through molecular dynamics simulations of a Go-like model with Lennard-Jones contact interactions. We provide a thorough characterization of the system and correlate the sequencing of the folding and unraveling events with each other and with the contact order. The roles of cantilever stiffness and pulling rate are studied. Unraveling of tandem titin structures has a serial nature. The force-displacement curves in this coarse-grained model are similar to those obtained through all atom calculations. (C) 2002 Wiley-Liss, Inc.
引用
收藏
页码：114 / 124
页数：11
相关论文
共 42 条
[1]   NON-INTERACTING LOCAL-STRUCTURE MODEL OF FOLDING AND UNFOLDING TRANSITION IN GLOBULAR-PROTEINS .2. APPLICATION TO TWO-DIMENSIONAL LATTICE PROTEINS [J].
ABE, H ;
GO, N .
BIOPOLYMERS, 1981, 20 (05) :1013-1031
[2]   PROTEIN DATA BANK - COMPUTER-BASED ARCHIVAL FILE FOR MACROMOLECULAR STRUCTURES [J].
BERNSTEIN, FC ;
KOETZLE, TF ;
WILLIAMS, GJB ;
MEYER, EF ;
BRICE, MD ;
RODGERS, JR ;
KENNARD, O ;
SHIMANOUCHI, T ;
TASUMI, M .
JOURNAL OF MOLECULAR BIOLOGY, 1977, 112 (03) :535-542
[3]   KINETICS AND THERMODYNAMICS OF FOLDING IN MODEL PROTEINS [J].
CAMACHO, CJ ;
THIRUMALAI, D .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1993, 90 (13) :6369-6372
[4]   Mechanical and chemical unfolding of a single protein: A comparison [J].
Carrion-Vazquez, M ;
Oberhauser, AF ;
Fowler, SB ;
Marszalek, PE ;
Broedel, SE ;
Clarke, J ;
Fernandez, JM .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1999, 96 (07) :3694-3699
[5]   Protein folding - Matching speed and locality [J].
Chan, HS .
NATURE, 1998, 392 (6678) :761-763
[6]   Kinetic nonoptimality and vibrational stability of proteins [J].
Cieplak, M ;
Hoang, TX .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2001, 44 (01) :20-25
[7]  
CIEPLAK M, UNPUB SEQUENCING EVE
[8]   Protein biophysics - Stretching single protein molecules: Titin is a weird spring [J].
Erickson, HP .
SCIENCE, 1997, 276 (5315) :1090-1092
[9]   REVERSIBLE UNFOLDING OF FIBRONECTIN TYPE-III AND IMMUNOGLOBULIN DOMAINS PROVIDES THE STRUCTURAL BASIS FOR STRETCH AND ELASTICITY OF TITIN AND FIBRONECTIN [J].
ERICKSON, HP .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1994, 91 (21) :10114-10118
[10]   The study of protein mechanics with the atomic force microscope [J].
Fisher, TE ;
Oberhauser, AF ;
Carrion-Vazquez, M ;
Marszalek, PE ;
Fernandez, JM .
TRENDS IN BIOCHEMICAL SCIENCES, 1999, 24 (10) :379-384
12345