Figure 5.

Binding of PIP Molecules to Both Canonical and Non-canonical Sites on the ASAP1 PH Domain

(A–C) A simulation snapshot and the crystal structure are compared in (A) (the same format as in Figure 3 for other PH domains). (B) A snapshot of the PH/PIP₂ complex derived from our CG simulations and then converted to an atomistic model, with the PH domain in yellow and the two bound PIP₂ molecules (in cyan/red/bronze). (C) The crystal structure (PDB: 5C79) with the PH domain in blue and the two bound dibutyryl PIP molecules (in cyan/red/bronze/silver). See also Figure S2.