MAS NMR structure of a microcrystalline Cd-bacteriochlorophyll d analogue

被引:30
作者
de Boer, I
Matysik, J
Amakawa, M
Yagai, S
Tamiaki, H
Holzwarth, AR
de Groot, HJM
机构
[1] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands
[2] Ritsumeikan Univ, Dept Biosci & Biotechnol, Shiga 5258577, Japan
[3] Max Planck Inst Bioanorgan Chem, D-45413 Mulheim, Germany
关键词
D O I
10.1021/ja0367492
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Solid-state NMR is an emerging method to obtain structural information in molecular biology and nanotechnology for systems that are inaccessible to solution NMR or diffraction methods. While solution NMR generally converges upon families of structures in a bottom-up approach, solid NMR structure determination will have to take into account the top-down constraints that follow from the additional requirement that the entire 3D space must be packed in an orderly fashion. We used MAS NMR together with molecular modeling calculations in steps to establish a detailed model of the local crystal structure of an aggregate of uniformly 13C- and 15N-labeled Cd-chlorophyllide d, a model for the chlorosomal antennae. In this way we converge upon a space group P21 with a = 14.3 Å, b = 27.3 Å, c = 6.4 Å, β = 147.2° and Z = 2. Copyright © 2003 American Chemical Society.
引用
收藏
页码:13374 / 13375
页数:2
相关论文
共 16 条
[1]   Self-aggregates of a synthetic cadmium chlorin in solid film as a photosynthetic antenna model [J].
Amakawa, M ;
Tamiaki, H .
BIOORGANIC & MEDICINAL CHEMISTRY, 1999, 7 (06) :1141-1144
[2]   Structure of a protein determined by solid-state magic-angle-spinning NMR spectroscopy [J].
Castellani, F ;
van Rossum, B ;
Diehl, A ;
Schubert, M ;
Rehbein, K ;
Oschkinat, H .
NATURE, 2002, 420 (6911) :98-102
[3]   2D13C-13C MAS NMR correlation spectroscopy with mixing by true 1H spin diffusion reveals long-range intermolecular distance restraints in ultra high magnetic field [J].
de Boer, I ;
Bosman, L ;
Raap, J ;
Oschkinat, H ;
de Groot, HJM .
JOURNAL OF MAGNETIC RESONANCE, 2002, 157 (02) :286-291
[4]   Benzoxazine oligomers: Evidence for a helical structure from solid-state NMR spectroscopy and DFT-based dynamics and chemical shift calculations [J].
Goward, GR ;
Sebastiani, D ;
Schnell, I ;
Spiess, HW ;
Kim, HD ;
Ishida, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2003, 125 (19) :5792-5800
[5]   ON THE STRUCTURE OF BACTERIOCHLOROPHYLL MOLECULAR AGGREGATES IN THE CHLOROSOMES OF GREEN BACTERIA - A MOLECULAR MODELING STUDY [J].
HOLZWARTH, AR ;
SCHAFFNER, K .
PHOTOSYNTHESIS RESEARCH, 1994, 41 (01) :225-233
[6]   MULTINUCLEAR, MULTIFIELD, AND MULTIPHASE NUCLEAR MAGNETIC-RESONANCE STUDY OF CADMIUM MESO-TETRAPHENYLPORPHYRIN AND ITS PYRIDINE ADDUCT [J].
JAKOBSEN, HJ ;
ELLIS, PD ;
INNERS, RR ;
JENSEN, CF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (26) :7442-7452
[7]  
Katz J. J., 1991, CHLOROPHYLLS, P211
[8]   CD-113 NUCLEAR MAGNETIC-RESONANCE SPECTROSCOPY OF CD-2+-SUBSTITUTED HEME AND MYOGLOBIN [J].
KENNEDY, MA ;
ELLIS, PD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (09) :3195-3203
[9]   ORDERED AGGREGATION STATES OF CHLOROPHYLL-A AND SOME DERIVATIVES [J].
KRATKY, C ;
DUNITZ, JD .
JOURNAL OF MOLECULAR BIOLOGY, 1977, 113 (02) :431-442
[10]   A multiphase Cd-113 NMR investigation of metalloporphyrin reorientation in cadmium-substituted myoglobin [J].
McAteer, K ;
Lipton, AS ;
Kennedy, MA ;
Ellis, PD .
SOLID STATE NUCLEAR MAGNETIC RESONANCE, 1996, 7 (03) :229-238