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. 2023 Feb 17;31(3):253–264.e6. doi: 10.1016/j.str.2023.01.009

Figure 2.

Figure 2

Cryo-EM reconstruction of WT-Spike-RBD with engineered ACE2 Fc-fusions reveal contributions from hydrophobic interactions at RBD-ACE2 interface

(A) WT-Spike-RBD/CVD293 and WT-Spike-RBD/CVD432 models colored by estimated per-residue Q-score ranging from 0 (red) to 0.7 (purple). The color bar shows corresponding estimated resolution in Å for each Q-score. Expected Q-score for 3.5 Å map is 0.49 and expected Q-score for 3.36 Å map is 0.52.

(B and C) Cryo-EM reconstructions of WT-Spike-RBD with either CVD293 or CVD432 show favorable π–π stacking interactions between WT-Spike-RBD residue Y489 and engineered ACE2 residue F31. In addition, there are also hydrophobic interactions between WT-Spike-RBD residue L455 and CVD293 residue I34. Hydrogen bond interactions between WT-Spike-RBD residue Q493 and CVD293 or CVD432 residue Q35 are not apparent in the cryo-EM consensus model.

(D) The Rosetta lowest energy model for CVD293 is overlaid with the cryo-EM model. Both models show hydrophobic and hydrogen bond interactions between CVD293 and WT-Spike-RBD residues that contribute to improved interface energy (REU) compared with the ACE2-WT-Spike-RBD interaction.

See also Figures S1–S5 and Table S3.