Protein Unfolding under Force: Crack Propagation in a Network

被引：12

作者：

de Graff, Adam M. R. ^{[1
,2
]}

Shannon, Gareth ^{[3
]}

Farrell, Daniel W. ^{[1
,2
]}

Williams, Philip M. ^{[3
]}

Thorpe, M. F. ^{[1
,2
]}

机构：

[1] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA

[2] Arizona State Univ, Ctr Biol Phys, Tempe, AZ 85287 USA

[3] Univ Nottingham, Sch Pharm, Lab Biophys & Surface Anal, Nottingham NG7 2RD, England

来源：

BIOPHYSICAL JOURNAL | 2011年 / 101卷 / 03期

基金：

美国国家科学基金会; 英国生物技术与生命科学研究理事会; 加拿大自然科学与工程研究理事会;

关键词：

VON-WILLEBRAND-FACTOR; MOLECULAR-DYNAMICS SIMULATIONS; TITIN IMMUNOGLOBULIN DOMAINS; EXTERNAL FORCES; RIBONUCLEASE-H; IG DOMAIN; INTERMEDIATE; MODULES; AFM; SPECTROSCOPY;

D O I：

10.1016/j.bpj.2011.05.072

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

The mechanical unfolding of a set of 12 proteins with diverse topologies is investigated using an all-atom constraint-based model. Proteins are represented as polypeptides cross-linked by hydrogen bonds, salt bridges, and hydrophobic contacts, each modeled as a harmonic inequality constraint capable of supporting a finite load before breaking. Stereo-chemically acceptable unfolding pathways are generated by minimally overloading the network in an iterative fashion, analogous to crack propagation in solids. By comparing the pathways to those from molecular dynamics simulations and intermediates identified from experiment, it is demonstrated that the dominant unfolding pathways for 9 of the 12 proteins studied are well described by crack propagation in a network.

引用

页码：736 / 744

页数：9

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