X-ray Crystal Structure of the Complex of Enniatin B with KNCS

N. E. Zhukhlistova

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X-ray Crystal Structure of the Complex of Enniatin B with KNCS

机译：恩尼汀B与KNCS配合物的X射线晶体结构

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The crystal structure of the complex of enniatin B, cyclo[-(L-MeVal-D-Hyi)_(3-)] (C_(33)H_(57)N_3O_9), with KNCS is determined by X-ray diffraction [CuK_α radiation, R = 0.0594 for 7925 reflections with I > 2σ(I)]. The crystals belong to the space group P3, a = 24.448(5) A, c = 23.578(5) A, V = 12277(9) A~3, and Z = 6. The unit cell contains 12 symmetrically independent molecules of the antibiotic, which are located on crystallographic threefold axes. The K~+ ions are located on the threefold axes and are coordinated by the carbonyl oxygen atoms of the hydroxy acid or amino acid residues of the enniatin molecules to form prisms, twisted prisms, and antiprisms. All the independent enniatin molecules retain the principal conformational features revealed earlier in the structures of enniatin B and its complexes.

机译：恩尼汀B环[-（L-MeVal-D-Hyi）_（3-）]（C_（33）H_（57）N_3O_9）与KNCS的配合物的晶体结构是通过X射线衍射[ CuK_α辐射，对于I>2σ（I）的7925次反射，R = 0.0594。晶体属于空间群P3，a = 24.448（5）A，c = 23.578（5）A，V = 12277（9）A〜3，Z =6。晶胞包含12个对称的独立分子抗生素，位于晶体学三重轴上。 K +离子位于三重轴上，并与烯醇溶蛋白分子的羟基酸或氨基酸残基的羰基氧原子配位，形成棱柱，扭曲棱柱和反棱镜。所有独立的enenatin分子均保留enniatin B及其复合物结构中较早发现的主要构象特征。

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《Crystallography reports》 |2002年第3期|共11页
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N. E. Zhukhlistova;
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X-ray Crystal Structure of the Complex of Enniatin B with KNCS

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