Figure 7.
Stability and interaction properties of toll/interleukin 1 receptor domain-containing adaptor protein (TIRAP) and a dipalmitoylphosphatidylcholine (DPPC)-phosphatidylinositol (PI) (3,4,5)-trisphosphate (PIP3) bilayer. (A) Overall structure of TIRAP over a DPPC–PIP3 bilayer. TIRAP is colored blue for chain A and green for chain B. The red lines on the membrane indicate the approximate positions of DPPC headgroups. PIP3 and PI-binding residues are shown as spheres. (B) Root mean square deviation; (C) root mean square fluctuation; and (D) radius of gyration (Rg). The black and red curves represent chains A and B, respectively. (E) Interaction of PIP3 with TIRAP–PBM. Dashed lines represent hydrogen bonds, and digits indicate distances in angstrom units. (F) Order parameters for sn-1 and sn-2 chains of DPPC lipids in the presence of PIP3. (G) Headgroup density profiles of four different DPPC membranes: black: pure DPPC, red: DPPC–PI 4,5-bisphosphate (PIP2), green: DPPC–PIP2 (under mutant TIRAP), and blue: DPPC–PIP3. (H,I) Intermolecular distances between H-bond-forming atoms of K32, K35, R36, and PIP3 as a function of time.