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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >The first crystal structure of a gramicidin complex with sodium: high-resolution study of a nonstoichiometric gramicidin D-NaI complex.
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The first crystal structure of a gramicidin complex with sodium: high-resolution study of a nonstoichiometric gramicidin D-NaI complex.

机译：第一个短杆菌肽的晶体结构复杂与钠:高分辨率研究非化学计量短杆菌肽D-NaI复杂。

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摘要

The crystal structure of the nonstoichiometric complex of gramicidin D with NaI has been studied using synchrotron radiation at 100 K. The limiting resolution was 1.25 A and the R factor was 16% for 19 883 observed reflections. The general architecture of the antiparallel two-stranded gramicidin dimers in the studied crystal was a right-handed antiparallel double-stranded form that closely resembles the structures of other right-handed species published to date. However, there were several surprising observations. In addition to the significantly different composition of linear gramicidins identified in the crystal structure, including the absence of the gramicidin C form, only two cationic sites were found in each of the two independent dimers (channels), which were partially occupied by sodium, compared with the seven sites found in the RbCl complex of gramicidin. The sum of the partial occupancies of Na(+) was only 1.26 per two dimers and was confirmed by the similar content of iodine ions (1.21 ions distributed over seven sites), which was easily visible from their anomalous signal. Another surprising observation was the significant asymmetry of the distributions and occupancies of cations in the gramicidin dimers, which was in contrast to those observed in the high-resolution structures of the complexes of heavier alkali metals with gramicidin D, especially that of rubidium.
机译：非化学计量的晶体结构复杂的短杆菌肽D奈了使用同步辐射在100 K。1.25限制决议和R因子19 883年观察到的反射是16%。反平行的通用体系结构具有短杆菌肽二聚体的研究水晶是一个右手反平行的双链形式相似结构的右撇子的物种出版日期。令人惊讶的观察。线性组成明显不同短杆菌肽确定晶体结构,包括没有短杆菌肽C形式的情况下,只有两个阳离子被发现在每一个网站两个独立的二聚体(渠道)部分被钠,相比七:复杂的网站发现短杆菌肽。Na(+)每两个二聚体,只有1.26证实了碘离子的类似的内容(1.21离子分布在七个地点)轻易可见的异常信号。另一个令人惊讶的观察了重要的不对称分布阳离子的入住率短杆菌肽二聚体,这是与这些观察到的高分辨率结构的复合体重碱金属与短杆菌肽D,特别是铷。

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