Conformations of unsolvated glycine-based peptides

被引:30
作者
Hudgins, RR [1 ]
Jarrold, MF [1 ]
机构
[1] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 2000年 / 104卷 / 09期
关键词
D O I
10.1021/jp9935539
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The conformations of unsolvated glycine-based peptides have been probed using high-resolution ion mobility measurements and molecular dynamics simulations. Alanine-based Ac-Ala(n)-LysH(+) peptides have previously been shown to form helices in the gas phase. In contrast, the polyglycine analogues (Ac-Gly(n)-LysH(+)) do not form helices at room temperature; they adopt random globular conformations. Thus, the stabilities of alanine and glycine helices in vacuo are consistent with the helix propensities in aqueous solution, where alanine has the highest helix propensity and glycine has one of the lowest.
引用
收藏
页码:2154 / 2158
页数:5
相关论文
共 39 条
[1]   FLUCTUATIONS IN MOLECULAR-SIZE, ENTANGLEMENT COMPLEXITY, AND ANISOMETRY ALONG MOLECULAR-DYNAMICS TRAJECTORIES OF SHORT ALPHA-HELICES [J].
ARTECA, GA .
BIOPOLYMERS, 1995, 35 (04) :393-409
[2]   Local interactions in protein folding: Lessons from the alpha-helix [J].
Aurora, R ;
Creamer, TP ;
Srinivasan, R ;
Rose, GD .
JOURNAL OF BIOLOGICAL CHEMISTRY, 1997, 272 (03) :1413-1416
[3]  
Bertsch RA, 1998, PROTEINS, V33, P343
[4]   STRUCTURAL BASIS OF AMINO-ACID ALPHA-HELIX PROPENSITY [J].
BLABER, M ;
ZHANG, XJ ;
MATTHEWS, BW .
SCIENCE, 1993, 260 (5114) :1637-1640
[5]   MECHANISMS OF PROTEIN AND POLYPEPTIDE HELIX INITIATION [J].
BLAGDON, DE ;
GOODMAN, M .
BIOPOLYMERS, 1975, 14 (01) :241-245
[6]   CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].
BROOKS, BR ;
BRUCCOLERI, RE ;
OLAFSON, BD ;
STATES, DJ ;
SWAMINATHAN, S ;
KARPLUS, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217
[7]   Gas-phase basicities of histidine and lysine and their selected di- and tripeptides [J].
Carr, SR ;
Cassady, CJ .
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 1996, 7 (12) :1203-1210
[8]   STABILITY OF ALPHA-HELICES [J].
CHAKRABARTTY, A ;
BALDWIN, RL .
ADVANCES IN PROTEIN CHEMISTRY, VOL 46, 1995, 46 :141-176
[9]   High-order structure and dissociation of gaseous peptide aggregates that are hidden in mass spectra [J].
Counterman, AE ;
Valentine, SJ ;
Srebalus, CA ;
Henderson, SC ;
Hoaglund, CS ;
Clemmer, DE .
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 1998, 9 (08) :743-759
[10]   SIDE-CHAIN ENTROPY OPPOSES ALPHA-HELIX FORMATION BUT RATIONALIZES EXPERIMENTALLY DETERMINED HELIX-FORMING PROPENSITIES [J].
CREAMER, TP ;
ROSE, GD .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1992, 89 (13) :5937-5941