Figure 3

Rigid modeling of Au₁₀₂_C₆MI conjugation to the nanocapsid binding site. Three rigid models illustrate probable positions of AuNCs on the nanocapsid surface within specified distance parameters determined by Au₁₀₂_C₆MI atomic structure and the cysteine binding site. The density of AuNCs (colored gold) was built on the surface of nanocapsid crystal structure (colored gray) by adding the modeled electron density of Au₁₀₂ at each accessible position with a specified distance from the binding site (pink). (a–c) The left image shows nanocapsids with modeled AuNC densities and the AuNC densities alone on the right. The upper image is a top view of the 5-fold symmetry center while the bottom shows a side view of the 5-fold symmetry center. Probe radii distance and binding site to probe center distance parameters for each model were as follows: (a) 1.6–3.0 nm and <3.0 nm; (b) 1.6–2.6 nm and 2.1–3.7 nm; (c) 1.6–2.9 nm and <4.2 nm, respectively. Red arrow scale bar is 4.5 nm.