Dynamics and Molecular Interactions of GPI-Anchored CD59

CD59 is a GPI-anchored cell surface receptor that serves as gatekeeper to controlling pore formation. It the only membrane-bound inhibitor of complement membrane attack complex (MAC), an immune can damage human cells. While blocks MAC pores, co-opted by bacterial pore-forming proteins target Recent structures in complexes with binding partners showed dramatic differences orientation its ectodomain relative membrane. Here, we show how satisfy this diversity modes. We present PyLipID analysis coarse-grain molecular dynamics simulations CD59-inhibited reveal residues (C6:Y285, C6:R407 C6:K412, C7:F224, C8β:F202, C8β:K326) likely interact lipids. Using modules MDAnalysis package investigate atomistic CD59, discover properties encode flexibility necessary bind both and virulence factors.