Centre for Biological Sciences, University of Southampton, Southampton, United Kingdom.
Biophys J. 2018 Aug 7;115(3):522-532. doi: 10.1016/j.bpj.2018.06.022. Epub 2018 Jun 26.
The outer membranes of animal cells contain high concentrations of cholesterol, of which a small proportion is located deep within the hydrophobic core of the membrane. An automated docking procedure is described that allows the characterization of binding sites for these deep cholesterol molecules on the membrane-spanning surfaces of membrane proteins and in protein cavities or pores, driven by hydrogen bond formation. A database of this class of predicted binding site is described, covering 397 high-resolution structures. The database includes sites on the transmembrane surfaces of many G-protein coupled receptors; within the fenestrations of two-pore K channels and ATP-gated P2X3 channels; in the central cavities of a number of transporters, including Glut1, Glut5, and P-glycoprotein; and in deep clefts in mitochondrial complexes III and IV.
动物细胞的外膜含有高浓度的胆固醇，其中一小部分位于膜的疏水区核心深处。本文描述了一种自动对接程序，该程序允许在膜蛋白的跨膜表面以及蛋白质腔或孔中，通过氢键形成来描述这些深胆固醇分子在膜上的结合部位。本文还描述了此类预测结合部位的数据库，其中包括 397 个高分辨率结构的部位。该数据库包括许多 G 蛋白偶联受体跨膜表面的部位；在双孔 K 通道和 ATP 门控 P2X3 通道的窗孔内；在许多转运蛋白（包括 Glut1、Glut5 和 P-糖蛋白）的中央腔中；以及在线粒体复合物 III 和 IV 的深裂缝中。
