Ilin Sergey, Schlönvogt Irene, Ebert Marc-Olivier, Jaun Bernhard, Schwalbe Harald
Department of Chemistry and MIT/Harvard Center for Magnetic Resonance, Francis Bitter Magnet Laboratory Massachusetts Institute of Technology 77 Massachusetts Avenue, Cambridge, MA 02139, USA.
Chembiochem. 2002 Jan 4;3(1):93-9. doi: 10.1002/1439-7633(20020104)3:1<93::AID-CBIC93>3.0.CO;2-0.
The design of polymers that could mimic biomolecules in their ability to form assemblies similar to ribo- and deoxyribonucleic acids has become an attractive field of chemical research, and NMR spectroscopy has played a vital role in the determination of the three-dimensional structure of these newly designed nonnatural polymers. The structure of a self-complementary octamer duplex of pyranosyl-RNA (pRNA) has been determined by using NMR spectroscopy experimental data and an Xplor structure calculation protocol. The structure has been compared with the structure of a duplex formed by a designed nucleo-delta-peptide analogue of pRNA. The two duplexes assume one predominant conformation and show a high structural similarity. The conformation type of both structures agrees with those predicted based on qualitative conformational analysis and both structures show a good convergence toward the average torsion angles derived by NMR spectroscopy.
能够模仿生物分子形成类似于核糖核酸和脱氧核糖核酸的组装体能力的聚合物设计，已成为化学研究中一个有吸引力的领域，而核磁共振光谱法在确定这些新设计的非天然聚合物的三维结构方面发挥了至关重要的作用。通过使用核磁共振光谱实验数据和Xplor结构计算协议，已确定了吡喃糖基 - RNA（pRNA）的自互补八聚体双链体的结构。已将该结构与由pRNA的设计核 - δ - 肽类似物形成的双链体结构进行了比较。这两个双链体呈现一种主要构象，并且显示出高度的结构相似性。两种结构的构象类型与基于定性构象分析预测的构象类型一致，并且两种结构在核磁共振光谱得出的平均扭转角方面都显示出良好的收敛性。
