Table 2.
Comparison of RaTG13 RBD and SARS-CoV-2 RBD binding to hACE2
| RaTG13 RBD/SARS-CoV-2 RBD | hACE2 (RaTG13 RBD) | hACE2 (SARS-CoV-2 RBD) |
|---|---|---|
| K417 | D30 (1) | D30 (3,1) |
| G446 | Q42 (2,1) | |
| F449/Y449 | D38 (4) | D38 (5,1), Q42 (2,1) |
| Y453 | H34 (3) | H34 (3,1) |
| L455 | H34 (5), D30 (1) | H34 (4) |
| F456 | T27 (5), D30 (2), K31 (1) | T27 (5), D30 (1), K31 (1) |
| A475 | Q24 (1) | S19 (3,1), Q24 (1), T27 (1) |
| G476 | S19 (2) | |
| S477 | S19 (1,1) | |
| L486/F486 | M82 (1) | M82 (4), Y83 (7) |
| N487 | Q24 (8), Y83 (5,2) | Q24 (7,1), Y83 (4,1) |
| Y489 | T27 (2), F28 (3), K31(2), Y83 (1,1) | T27 (2), F28 (4), Y83 (1) |
| F490 | K31 (1) | |
| Y493/Q493 | K31 (6,1) | H34 (3), E35 (3) |
| G496 | K353 (2) | D38 (1), K353 (5,1) |
| Y498/Q498 | Y41 (6), Q42 (3,1), D38 (5,1), K353 (2), L45 (1) | Y41(5), Q42(5,3), L45(1) |
| T500 | Y41 (7,1), L45 (1), D355 (5) | Y41 (6), N330 (3), D355 (6), R357 (3) |
| D501/N501 | Y41 (5), K353 (5) | Y41 (5,1), K353 (5) |
| G502 | K353 (3,1), 354 (3) | K353 (3,1), G354 (5) |
| H505/Y505 | K353 (11), G354 (2) | E37 (3), K353 (14), G354 (2) |
| Total | 113, 9 | 141, 14 |
The numbers without underline in parentheses of hACE2 (RaTG13 RBD) and hACE2 (SARS-CoV-2 RBD) residues represent the number of vdw contacts between the indicated hACE2 residues with the RaTG13 RBD or SARS-CoV-2 RBD. Underlined numbers with bold format suggest numbers of potential H-bonds between the pairs of residues. vdw contact was analyzed at a cutoff of 4 Å and H-bonds at a cutoff of 3.3 Å.