Department of Physics, Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom.
Abteilung Proteinevolution, Max-Planck-Institut für Entwicklungsbiologie, Tübingen, Germany.
Proteins. 2018 Dec;86(12):1251-1264. doi: 10.1002/prot.25589. Epub 2018 Nov 4.
We have performed docking simulations on GABARAP interacting with the GABA type A receptor using SwarmDock. We have also used a novel method to study hydration sites on the surface of these two proteins; this method identifies regions around proteins where desolvation is relatively easy, and these are possible locations where proteins can bind each other. There is a high degree of consistency between the predictions of these two methods. Moreover, we have also identified binding sites on GABARAP for other proteins, and listed possible binding sites for as yet unknown proteins on both GABARAP and the GABA type A receptor intracellular domain.
我们使用 SwarmDock 对 GABARAP 与 GABA 型 A 受体相互作用进行了对接模拟。我们还使用了一种新方法来研究这两种蛋白质表面的水合位点；这种方法确定了蛋白质周围相对容易去溶剂化的区域，这些区域可能是蛋白质相互结合的位置。这两种方法的预测结果具有高度一致性。此外，我们还确定了 GABARAP 与其他蛋白质的结合位点，并列出了 GABARAP 和 GABA 型 A 受体细胞内域上未知蛋白质的可能结合位点。
