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首页> 外文期刊>Biochemistry >Stacking of Bacteriochlorophyll c Macrocycles in Chlorosome from Chlorobium limicola As Revealed by Intermolecular 13C Magnetic-Dipole Correlation, X-Ray Diffraction, and Quadrupole Coupling in 25Mg NMR
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Stacking of Bacteriochlorophyll c Macrocycles in Chlorosome from Chlorobium limicola As Revealed by Intermolecular 13C Magnetic-Dipole Correlation, X-Ray Diffraction, and Quadrupole Coupling in 25Mg NMR

机译：在25Mg NMR中通过分子间13C磁偶极子相关性，X射线衍射和四极偶合揭示了小球藻中染色体中细菌叶绿素c大环的堆积。

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摘要

The stacking of the bacteriochlorophyll (BChl) c macrocycles and the role of water in forming an aggregate sheet, in chlorosome, were examined by means of 13C NMR spectroscopy, the measurement of the X-ray diffraction pattern, and 25Mg NMR spectroscopy. (1) The stacking of the macrocycles, i.e., weakly overlapped dimers forming displaced layers, was selected out of six different kinds of stacking so far identified in the aggregates of isomeric BChl c in solution and in the solid aggregate of an isomeric mixture of BChl c extracted from Chlorobium limicola. The selection was based on the comparison of the intermolecular 13C···13C magnetic-dipole correlations with the nearest-neighbor carbon-to-carbon close contacts simulated for the above six different stackings. It has turned out that the stacking of the macrocycles in chlorosome is basically the same as that in the in vitro solid aggregate. (2) The crucial role of water in stabilizing the aggregate structure in chlorosome was shown by tracing the dehydration processes and by comparison with the solid aggregate using the X-ray diffraction pattern. Possible binding sites of water molecules were located, by structural simulation, based on the particular stacking structure. (3) The dimer-based stacking of the macrocycles was evidenced by 25Mg NMR spectroscopy, which exhibited a pair of signals showing different quadrupole coupling, due to the presence or absence of a water molecule in the axial position.
机译：通过13C NMR光谱，X射线衍射图和25Mg NMR光谱检查了细菌叶绿素（BChl）c大环的堆积以及水在氯仿中形成聚集片的作用。 （1）大环的堆积，即形成位移层的弱重叠的二聚体，是从迄今在溶液中的BChlc异构体的聚集体和BChl的异构体混合物的固体聚集体中确定的六种不同的堆积中选择的c提取自细鳞草。选择是基于分子间13C···13C磁偶极子相关性与上述六个不同堆积模拟的最近邻碳-碳紧密接触的比较。事实证明，大环在氯仿体中的堆积与体外固体聚集体中的堆积基本相同。 （2）通过追踪脱水过程，并通过X射线衍射图与固体团聚物进行比较，证明了水在稳定染色体中团聚物结构中的关键作用。根据特定的堆叠结构，通过结构模拟确定了水分子可能的结合位点。 （3）大环的基于二聚体的堆积通过25Mg NMR光谱法得到证明，由于轴向位置上存在或不存在水分子，该信号显示出一对显示不同四极偶合的信号。

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