Figure 2. Modeling and cryoEM guided molecular dynamics simulations of the interaction between HD5 monomers and vertex proteins of the defensin-sensitive (Ad5.F35) and defensin-resistant (Ad5.PB/GYAR) HAdV chimeras.
(A) Atomic model of the penton base (brown with RGD loops in yellow) and fiber (green) of Ad5.F35 with docked HD5 monomers (red). (B) Similar atomic model of Ad5.PB/GYAR. The smaller model representations in panels A and B show the full length fibers. (C,D) Atomic models of the vertex regions with HD5 monomers shown docked within the cryoEM density.