由2'-脱氧鸟苷与双链DNA中的无碱基位点反应形成的链间交联的核苷模型的晶体结构。
Crystal structure of a nucleoside model for the inter-strand cross-link formed by the reaction of 2'-de-oxy-guanosine and an abasic site in duplex DNA.
作者信息
Catalano Michael J, Ruddraraju Kasi Viswanatharaju, Barnes Charles L, Gates Kent S
机构信息
125 Chemistry Bldg, University of Missouri-Columbia, MO 65211, USA.
出版信息
Acta Crystallogr E Crystallogr Commun. 2016 Apr 5;72(Pt 5):624-7. doi: 10.1107/S205698901600517X. eCollection 2016 May 1.
Abstract
The title compound, 9-[(2R,4S,5R)-4-hy-droxy-5-(hy-droxy-meth-yl)tetra-hydro-furan-2-yl]-2-{[(2R,4S,5R)-4-meth-oxy-5-(meth-oxy-meth-yl)tetra-hydro-furan-2-yl]amino}-1H-purin-6(9H)-one, C17H25N5O7, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In the crystal, the guanosine moieties of mol-ecules A and B are linked by N-H⋯N and O-H⋯N hydrogen-bonding inter-actions, forming ribbons which are stacked to form columns along [100]. These columns are then linked by O-H⋯O hydrogen bonds between the ribose moieties and numerous C-H⋯O inter-actions to complete the three-dimensional structure.
摘要
标题化合物9-[(2R,4S,5R)-4-羟基-5-(羟甲基)四氢呋喃-2-基]-2-{[(2R,4S,5R)-4-甲氧基-5-(甲氧基甲基)四氢呋喃-2-基]氨基}-1H-嘌呤-6(9H)-酮，C17H25N5O7，在不对称单元中以两个独立分子（A和B）结晶。在晶体中，分子A和B的鸟苷部分通过N-H⋯N和O-H⋯N氢键相互作用相连，形成带状结构，这些带状结构沿[100]堆积形成柱状结构。然后这些柱状结构通过核糖部分之间的O-H⋯O氢键和大量C-H⋯O相互作用相连，从而完成三维结构。
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