NMR-Based Structural Biology, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Göttingen, Germany.
Chemistry. 2011 Aug 16;17(34):9368-76. doi: 10.1002/chem.201100854. Epub 2011 Jul 13.
The dynamics of the glycosidic bond of lactose was studied by a paramagnetic tagging-based NMR technique, which allowed the collection of an unusually large series of NMR data for a single compound. By the use of distance- and orientation-dependent residual dipolar couplings and pseudocontact shifts, the simultaneous fitting of the probabilities of computed conformations and the orientation of the magnetic susceptibility tensor of a series of lanthanide complexes of lactose show that its glycosidic bond samples syn/syn, anti/syn and syn/anti ϕ/ψ regions of the conformational space in water. The analysis indicates a higher reliability of pseudocontact shift data as compared to residual dipolar couplings with the presently available weakly orienting paramagnetic tagging technique. The method presented herein allows for an improved understanding of the dynamic behaviour of oligosaccharides.
通过基于顺磁标记的 NMR 技术研究乳糖糖苷键的动力学，该技术允许为单个化合物收集异常大量的 NMR 数据。通过使用距离和方向依赖的残余偶极耦合和赝接触位移，对一系列乳糖的镧系元素配合物的计算构象的概率和磁化率张量的取向进行同时拟合，表明其糖苷键在水中的构象空间中采样 syn/syn、anti/syn 和 syn/anti ϕ/ψ 区域。分析表明，与目前可用的弱定向顺磁标记技术相比，伪接触位移数据的可靠性更高。本文提出的方法可以更好地理解低聚糖的动态行为。
