Folding and unfolding of an elastinlike oligopeptide: "Inverse temperature transition," reentrance, and hydrogen-bond dynamics

被引：60

作者：

Schreiner, E ^{[1
]}

Nicolini, C

Ludolph, B

Ravindra, R

Otte, N

Kohlmeyer, A

Rousseau, R

Winter, R

Marx, D

机构：

[1] Ruhr Univ Bochum, Lehrstuhl Theoret Chem, D-44780 Bochum, Germany

[2] Univ Dortmund, D-44227 Dortmund, Germany

[3] Max Planck Inst Mol Physiol, D-44227 Dortmund, Germany

来源：

PHYSICAL REVIEW LETTERS | 2004年 / 92卷 / 14期

关键词：

D O I：

10.1103/PhysRevLett.92.148101

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The temperature-dependent behavior of a solvated oligopeptide, GVG(VPGVG), is investigated. Spectroscopic measurements, thermodynamic measurements, and molecular dynamics simulations find that this elastinlike octapeptide behaves as a two-state system that undergoes an "inverse temperature" folding transition and reentrant unfolding close to the boiling point of water. A molecular picture of these processes is presented, emphasizing changes in the dynamics of hydrogen bonding at the protein/ water interface and peptide backbone librational entropy.

引用

页码：148101 / 1

页数：4

共 30 条

[1] ESSENTIAL DYNAMICS OF PROTEINS [J].

AMADEI, A ;

LINSSEN, ABM ;

BERENDSEN, HJC .

PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1993, 17 (04) :412-425

[2] On the calculation of entropy from covariance matrices of the atomic fluctuations [J].

Andricioaei, I ;

Karplus, M .

JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (14) :6289-6292

[3] Effects of ion atmosphere on hydrogen-bond dynamics in aqueous electrolyte solutions [J].

Chandra, A .

PHYSICAL REVIEW LETTERS, 2000, 85 (04) :768-771

[4] The structures of elastins and their function [J].

Debelle, L ;

Alix, AJP .

BIOCHIMIE, 1999, 81 (10) :981-994

[5] Elastin: molecular description and function [J].

Debelle, L ;

Tamburro, AM .

INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY, 1999, 31 (02) :261-272

[6] Molecular segregation observed in a concentrated alcohol-water solution [J].

Dixit, S ;

Crain, J ;

Poon, WCK ;

Finney, JL ;

Soper, AK .

NATURE, 2002, 416 (6883) :829-832

[7]

EICHINGER M, 2000, MOL DYNAMICS PARALLE

[8] LARGE-AMPLITUDE NONLINEAR MOTIONS IN PROTEINS [J].

GARCIA, AE .

PHYSICAL REVIEW LETTERS, 1992, 68 (17) :2696-2699

[9] ELASTIC PROPERTIES OF ELASTIN [J].

HOEVE, CAJ ;

FLORY, PJ .

BIOPOLYMERS, 1974, 13 (04) :677-686

[10] COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR SIMULATING LIQUID WATER [J].

JORGENSEN, WL ;

CHANDRASEKHAR, J ;

MADURA, JD ;

IMPEY, RW ;

KLEIN, ML .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) :926-935

← 1 2 3 →