Analysis of proton-proton transfer dynamics in rotating solids and their use for 3D structure determination

被引:117
作者
Lange, A [1 ]
Seidel, K [1 ]
Verdier, L [1 ]
Luca, S [1 ]
Baldus, M [1 ]
机构
[1] Max Planck Inst Biophys Chem, Dept NMR Based Struct Biol, D-37077 Gottingen, Germany
关键词
D O I
10.1021/ja034555g
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A detailed analysis of proton-proton-transfer dynamics under magic angle spinning NMR is presented. Results obtained on model compounds are evaluated under different experimental conditions and NMR mixing schemes. It is shown that the resulting buildup rates can be interpreted in terms of internuclear proton-proton distances provided that an appropriate theoretical description is chosen. As demonstrated in two test applications, these dependencies can be used in the context of a three-dimensional structure determination in the solid state.
引用
收藏
页码:12640 / 12648
页数:9
相关论文
共 89 条
[31]   Through-bond indirect and through-space direct dipolar coupling 31P MAS NMR constraints for spectral assignment in the cubic 3 x 3 x 3 superstructure of Ti2O7 [J].
Helluy, X ;
Marichal, C ;
Sebald, A .
JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (13) :2836-2845
[32]   DYNAMICS OF THE C-13 SPIN-EXCHANGE PROCESS IN SOLIDS - A THEORETICAL AND EXPERIMENTAL-STUDY [J].
HENRICHS, PM ;
LINDER, M ;
HEWITT, JM .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (12) :7077-7086
[33]   PHOTOGRAPHIC NEUTRON-DIFFRACTION STUDY OF L-HISTIDINE HCLH2O BY MODIFIED LAUE METHOD [J].
HOHLWEIN, D .
ACTA CRYSTALLOGRAPHICA SECTION A, 1977, 33 (JUL1) :649-654
[34]   Broadband dipolar recoupling in the nuclear magnetic resonance of rotating solids:: A compensated C7 pulse sequence [J].
Hohwy, M ;
Jakobsen, HJ ;
Edén, M ;
Levitt, MH ;
Nielsen, NC .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (07) :2686-2694
[35]   Selective and extensive 13C labeling of a membrane protein for solid-state NMR investigations [J].
Hong, M ;
Jakes, K .
JOURNAL OF BIOMOLECULAR NMR, 1999, 14 (01) :71-74
[36]   Site-directed rotational resonance solid-state NMR distance measurements probe structure and mechanism in the transmembrane domain of the serine bacterial chemoreceptor [J].
Isaac, B ;
Gallagher, GJ ;
Balazs, YS ;
Thompson, LK .
BIOCHEMISTRY, 2002, 41 (09) :3025-3036
[37]   13C-13C dipolar recoupling under very fast magic angle spinning in solid-state nuclear magnetic resonance:: Applications to distance measurements, spectral assignments, and high-throughput secondary-structure determination [J].
Ishii, Y .
JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (19) :8473-8483
[38]   Molecular conformation of a peptide fragment of transthyretin in an amyloid fibril [J].
Jaroniec, CP ;
MacPhee, CE ;
Astrof, NS ;
Dobson, CM ;
Griffin, RG .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2002, 99 (26) :16748-16753
[39]   Measurement of dipolar couplings in a uniformly 13C,15N-labeled membrane protein:: Distances between the Schiff base and aspartic acids in the active site of bacteriorhodopsin [J].
Jaroniec, CP ;
Lansing, JC ;
Tounge, BA ;
Belenky, M ;
Herzfeld, J ;
Griffin, RG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (51) :12929-12930
[40]   INVESTIGATION OF EXCHANGE PROCESSES BY 2-DIMENSIONAL NMR-SPECTROSCOPY [J].
JEENER, J ;
MEIER, BH ;
BACHMANN, P ;
ERNST, RR .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11) :4546-4553