Fig. 3 | Nature Communications

Fig. 3

From: Modular assembly of proteins on nanoparticles

Fig. 3

Rearrangement of GST bound to GNPs. a Representative conformation after 20 ns MD simulation of GST (PDB ID: 1UA5) bound to citrate-capped gold surface. GST has rotated compared to the original position (Supplementary Figure 4B) to orient lysine residues toward the citrate on the surface. Positively charged residues and cysteines are shown as stick and van-der-Waals representation, respectively. The complete simulation space of this and two other simulation events is reported in Supplementary Figure 4C-E. Supplementary Figure 4F also shows that there are no evident secondary structure changes within 20 ns of simulation. b SRCD spectra in the far UV region of GST in solution (dashed line) compared to GST bound to GNPs (solid line) measured at the same concentration. The latter was incubated with excess GST for 1 h and extensively washed before measurement to avoid the presence of protein in solution. After measurement GNPs were removed by centrifugation and a spectrum of the supernatant only (dotted line) was acquired and showed that little, if any, protein was present in solution, confirming that the spectrum of GST/GNPs was representative of the conformation of GST on gold surface. Similar measurements conducted on silver colloid are shown in Supplementary Figure 5

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