与小沟结合药物赫斯特33258复合的A-序列DNA十二聚体d（CGCAAATTTGCG）的三维晶体结构。
Three-dimensional crystal structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor-groove-binding drug Hoechst 33258.
作者信息
Vega M C, García Sáez I, Aymamí J, Eritja R, Van der Marel G A, Van Boom J H, Rich A, Coll M
机构信息
Departament de Biologia Molecular i Cel-lular, Centre d'Investigació i Desenvolupament-C.S.I.C., Barcelona, Spain.
出版信息
Eur J Biochem. 1994 Jun 15;222(3):721-6. doi: 10.1111/j.1432-1033.1994.tb18917.x.
The molecular structure of the DNA A-tract dodecamer d(CGCAAATTTGCG) complexed with the drug Hoechst 33258 has been determined by X-ray diffraction analysis. The Hoechst molecule binds in the DNA minor groove covering the sequence AATTT of the central A-tract, with the piperazine group close to one of the GC regions. The drug molecule makes two three-centered hydrogen bonds from the nitrogen atoms of the benzimidazole rings to the N3 and O2 atoms of the DNA bases. Although a high propeller twist is observed in the A-tract, only one unsymmetrical three-centered hydrogen bond is present in the DNA major groove. The structure is compared with other minor-groove-binding drug complexes and the influence of these drugs on DNA A-tracts is discussed.
通过X射线衍射分析确定了与药物Hoechst 33258复合的DNA A-序列十二聚体d（CGCAAATTTGCG）的分子结构。Hoechst分子结合在DNA小沟中，覆盖中央A-序列的AATTT序列，哌嗪基团靠近其中一个GC区域。药物分子从苯并咪唑环的氮原子与DNA碱基的N3和O2原子形成两个三中心氢键。虽然在A-序列中观察到高螺旋扭转，但在DNA大沟中仅存在一个不对称的三中心氢键。将该结构与其他小沟结合药物复合物进行了比较，并讨论了这些药物对DNA A-序列的影响。
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