Table 2. ΔΔG for RBD variants binding to ACE2 variants.
Mean and SD of ΔΔG (n = 3, kcal/mol) were determined as described in Materials and methods using the calculated KD values in Table 1. UK2 refers to the VOC-202102–02 variant.
| Ace2 wt | Ace2 s19p | Ace2 k26r | ||||
|---|---|---|---|---|---|---|
| RBD variant | ΔΔG | SD | ΔΔG | SD | ΔΔG | SD |
| WT | 0.00 | 0.00 | 0.79 | 0.05 | 0.52 | 0.06 |
| K417N | –0.96 | 0.06 | –0.23 | 0.04 | –0.52 | 0.04 |
| K417T | –0.68 | 0.07 | –0.01 | 0.05 | –0.32 | 0.09 |
| S477N | 0.33 | 0.04 | 0.67 | 0.05 | 0.72 | 0.04 |
| E484K | 0.20 | 0.04 | 0.92 | 0.04 | 0.57 | 0.04 |
| N501Y (Alpha) | 1.43 | 0.04 | 2.13 | 0.04 | 1.86 | 0.04 |
| K417N/E484K | –0.72 | 0.07 | –0.01 | 0.07 | –0.34 | 0.06 |
| K417T/E484K | –0.43 | 0.06 | 0.30 | 0.05 | –0.10 | 0.04 |
| E484K/N501Y (UK2) | 1.62 | 0.05 | 2.30 | 0.04 | 1.98 | 0.05 |
| K417N/E484K/N501Y (Beta) | 0.79 | 0.04 | 1.56 | 0.03 | 1.16 | 0.04 |
| K417T/E484K/N501Y (Gamma) | 1.03 | 0.04 | 1.76 | 0.03 | 1.39 | 0.04 |