Determination of accurate 1H positions of an alanine tripeptide with anti-parallel and parallel β-sheet structures by high resolution 1H solid state NMR and GIPAW chemical shift calculation

被引：23

作者：

Yazawa, Koji ^{[1
]}

Suzuki, Furitsu ^{[2
]}

Nishiyama, Yusuke ^{[3
]}

Ohata, Takuya ^{[1
]}

Aoki, Akihiro ^{[1
]}

Nishimura, Katsuyuki ^{[4
]}

Kaji, Hironori ^{[2
]}

Shimizue, Tadashi ^{[5
]}

Asakura, Tetsuo ^{[1
]}

机构：

[1] Tokyo Univ Agr & Technol, Dept Biotechnol, Tokyo, Japan

[2] Kyoto Univ, Inst Chem Res, Kyoto 6110011, Japan

[3] JEOL RESONANCE Inc, Tokyo 1968558, Japan

[4] Natl Inst Nat Sci, Inst Mol Sci, Okazaki, Aichi 4448585, Japan

[5] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050003, Japan

来源：

CHEMICAL COMMUNICATIONS | 2012年 / 48卷 / 91期

基金：

日本学术振兴会;

关键词：

PROTON-PROTON PROXIMITIES; CYNTHIA-RICINI SILK; ALANYL-L-ALANINE; SECONDARY STRUCTURE; HYDROGEN-BONDS; H-1-NMR; SPECTROSCOPY; ANTIPARALLEL; PROTEINS; CRYSTAL;

D O I：

10.1039/c2cc36300c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The accurate H-1 positions of alanine tripeptide, A(3), with anti-parallel and parallel beta-sheet structures could be determined by highly resolved H-1 DQMAS solid-state NMR spectra and H-1 chemical shift calculation with gauge-including projector augmented wave calculations.

引用

页码：11199 / 11201

页数：3

共 21 条

[1] Structural analysis of alanine tripeptide with antiparallel and parallel β-sheet structures in relation to the analysis of mixed β-sheet structures in Samia cynthia ricini silk protein fiber using solid-state NMR spectroscopy [J].

Asakura, T ;

Okonogi, M ;

Nakazawa, Y ;

Yamauchi, K .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (18) :6231-6238

[2]

ASAKURA T, 1995, J BIOMOL NMR, V6, P227, DOI 10.1007/BF00197804

[3] CORRELATIONS BETWEEN PROTON CHEMICAL-SHIFT TENSORS, DEUTERIUM QUADRUPOLE COUPLINGS, AND BOND DISTANCES FOR HYDROGEN-BONDS IN SOLIDS [J].

BERGLUND, B ;

VAUGHAN, RW .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (05) :2037-2043

[4] Probing proton-proton proximities in the solid state:: High-resolution two-dimensional 1H-1H double-quantum CRAMPS NMR spectroscopy [J].

Brown, SP ;

Lesage, A ;

Elena, B ;

Emsley, L .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (41) :13230-13231

[5] Probing proton-proton proximities in the solid state [J].

Brown, Steven P. .

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 2007, 50 (04) :199-251

[6] Molecular basis for amyloid-β polymorphism [J].

Colletier, Jacques-Philippe ;

Laganowsky, Arthur ;

Landau, Meytal ;

Zhao, Minglei ;

Soriaga, Angela B. ;

Goldschmidt, Lukasz ;

Flot, David ;

Cascio, Duilio ;

Sawaya, Michael R. ;

Eisenberg, David .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2011, 108 (41) :16938-16943

[7] STRUCTURE OF TRIPEPTIDE L-ALANYL-L-ALANYL-L-ALANINE [J].

FAWCETT, JK ;

CAMERMAN, N ;

CAMERMAN, A .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1975, 31 (MAR15) :658-665

[8]

GRIFFIN JM, 2007, ANGEW CHEM, V119, P8182

[9] L-ALANYL-L-ALANYL-L-ALANINE - PARALLEL PLEATED SHEET ARRANGEMENT IN UNHYDRATED CRYSTAL-STRUCTURE, AND COMPARISONS WITH THE ANTIPARALLEL SHEET STRUCTURE [J].

HEMPEL, A ;

CAMERMAN, N ;

CAMERMAN, A .

BIOPOLYMERS, 1991, 31 (02) :187-192

[10] NMR parameters and geometries of OHN and ODN hydrogen bonds of pyridine-acid complexes [J].

Limbach, HH ;

Pietrzak, M ;

Sharif, S ;

Tolstoy, PM ;

Shenderovich, IG ;

Smirnov, SN ;

Golubev, NS ;

Denisov, GS .

CHEMISTRY-A EUROPEAN JOURNAL, 2004, 10 (20) :5195-5204

← 1 2 3 →