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博来霉素A2的DNA结合部分类似物——3-(2'-苯基-2,4'-联噻唑-4-甲酰胺基)丙基二甲基碘化硫鎓的X射线晶体学分析

X-ray crystallographic analysis of 3-(2'-phenyl-2,4'-bithiazole-4-carboxamido) propyldimethylsulphonium iodide, an analogue of the DNA-binding portion of bleomycin A2.

作者信息

Kuroda R, Neidle S, Riordan J M, Sakai T T

出版信息

Nucleic Acids Res. 1982 Aug 11;10(15):4753-63. doi: 10.1093/nar/10.15.4753.

Abstract

The crystal and molecular structure of the title compound, an analogue of the DNA binding region of bleomycin A2, has been determined by X-ray crystallography. All the three independent molecules in an asymmetric unit are approximately planar with fully extended side chains. A computer graphics model-building study has shown that the phenyl group and the second thiazole ring can be intercalated between the base pairs of the double-stranded deoxydinucleoside phosphate d(CpG), and also that the sulphonium cation can interact with a backbone phosphate group. This model is in accord with NMR spectral data.

摘要

通过X射线晶体学确定了标题化合物(博来霉素A2的DNA结合区域类似物)的晶体和分子结构。不对称单元中的所有三个独立分子均近似平面结构,侧链完全伸展。计算机图形模型构建研究表明,苯基和第二个噻唑环可插入双链脱氧二核苷磷酸d(CpG)的碱基对之间,并且锍阳离子可与主链磷酸基团相互作用。该模型与核磁共振光谱数据一致。

相似文献

2
Bleomycin analogues. Phenylthiazole models of the bithiazole moiety of bleomycin A2.
J Med Chem. 1983 Jun;26(6):884-91. doi: 10.1021/jm00360a018.
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A new bithiazole derivative with intercalative properties.一种具有嵌入特性的新型双噻唑衍生物。
J Biomol Struct Dyn. 1986 Oct;4(2):219-29. doi: 10.1080/07391102.1986.10506341.

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