Electrostatic Interactions between Complement Regulator CD46(SCR1-2) and Adenovirus Ad11/Ad21 Fiber Protein Knob

Figure 5

Maps of electrostatic free energy of binding for CD46(SCR1-2)-Ad11k at the binding site (a) and at the surface opposite to the binding site (b). The maps show the effect of mutating individual charged residues on for the complex. Loss of binding mutants is shown in pink (low; to 2.5 kJ/mol, where 2.5 kJ/mol is the thermal energy at room temperature) or red (high;  kJ/mol). Gain of binding mutants is shown in cyan (low; to −2.5 kJ/mol) or purple (high;  kJ/mol). Other mutants with −0.1 <  kJ/mol are grayed out. See Supplementary Material for details. Mutants with high are labeled. Each panel is an open-book view of the complex, where the left image reflects the right image around the vertical axis. (a) and (b) are related by a 180°-rotation about a vertical axis. The transparent outlines show the position of the partner protein in the complex. Molecular graphics were generated using Chimera [28].

(a)

(b)