通过取向样品固态核磁共振光谱法测定多跨膜蛋白结构的理论评估。
A theoretical assessment of structure determination of multi-span membrane proteins by oriented sample solid-state NMR spectroscopy.
作者信息
Weber Daniel K, Veglia Gianluigi
机构信息
Department of Biochemistry, Molecular Biology, and Biophysics, University of Minnesota, Minneapolis, MN 55455, USA.
Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, USA.
出版信息
Aust J Chem. 2020;73(3):246-251. doi: 10.1071/CH19307. Epub 2019 Sep 20.
Oriented sample solid state NMR (OS-ssNMR) spectroscopy allows direct determination of the structure and topology of membrane proteins reconstituted into aligned lipid bilayers. While OS-ssNMR theoretically has no upper size limit, its application to multi-span membrane proteins has not been established since most studies have been restricted to single or dual span proteins and peptides. Here, we present a critical assessment of the application of this method to multi-span membrane proteins. We used molecular dynamics simulations to back-calculate [N-H] separated local field (SLF) spectra from a G protein-coupled receptor (GPCR) and show that fully resolved spectra can be obtained theoretically for a multi-span membrane protein with currently achievable resonance linewidths.
定向样品固态核磁共振（OS-ssNMR）光谱法能够直接测定重构于定向脂质双分子层中的膜蛋白的结构和拓扑结构。虽然从理论上讲，OS-ssNMR没有尺寸上限，但由于大多数研究都局限于单跨或双跨蛋白及肽段，其在多跨膜蛋白中的应用尚未确立。在此，我们对该方法在多跨膜蛋白中的应用进行了批判性评估。我们利用分子动力学模拟从G蛋白偶联受体（GPCR）反算得到[ N-H ]分离局部场（SLF）光谱，并表明理论上对于具有当前可实现共振线宽的多跨膜蛋白能够获得完全解析的光谱。
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