Table 2.
Comparison of SARS-CoV-2 RBD binding to cACE2 or hACE2.
| SARS-CoV-2 RBD | cACE2 | hACE2 |
|---|---|---|
| K417 (4,1/3,1) | E30 (4,1) | D30 (3,1) |
| G446 (1/2,1) | Q42 (1) | Q42 (2,1) |
| Y449 (12,1/7,2) | E38 (9,1), Q42 (3) | D38 (5,1), Q42 (2,1) |
| Y453 (5/3,1) | H34 (5) | H34 (3,1) |
| L455 (5/4) | E30 (1), H34 (4) | H34 (4) |
| F456 (13/7) | T27 (4), E30 (4), K31 (5) | T27 (5), D30 (1), K31 (1) |
| Y473 (1/0) | T27 (1) | |
| A475 (0/5,1) | S19 (3,1), Q24 (1), T27 (1) | |
| G476 (0/2) | S19 (2) | |
| S477 (4,1/0) | Q18 (4,1) | |
| F486 (5/11) | T82 (5) | M82 (4), Y83 (7) |
| N487 (7,1/11,2) | L24 (3), Y83 (4,1) | Q24 (7,1), Y83 (4,1) |
| Y489 (10/7) | T27 (1), F28 (6), K31 (2), Y83 (1) | T27 (2), F28 (4), Y83 (1) |
| F490 (0/1) | K31 (1) | |
| Q493 (7/6) | H34 (7) | H34 (3), E35 (3) |
| G496 (9,1/6,1) | E38 (3), K353 (6,1) | D38 (1), K353 (5,1) |
| Q498 (16,2/11,2) | E38 (6,1), Y41(7), Q42 (3, 1) | Y41(5), Q42(5,2), L45(1) |
| T500 (18, 3/18) | Y41 (3,1), D355 (12,2), R357 (3) | Y41 (6), N330 (3), D355 (6), R357 (3) |
| N501 (6,1/10,1) | Y41 (1), K353 (1), D355 (4,1) | Y41 (5,1), K353 (5) |
| G502 (5/8,1) | K353 (1), D355 (4) | K353 (3,1), G354 (5) |
| Y505 (15/19) | K353 (9), G354 (2), A386 (1), R393 (3) | E37 (3), K353 (14), G354 (2) |
| Total | 143, 11 | 141, 13 |
The numbers in parentheses of SARS-CoV-2 RBD residues represent the number of vdw and H-bond contacts between the indicated residue with cACE2 (the former) and hACE2 (the latter). The numbers in parentheses of ACE2s residues represent the numbers of vdw contacts the indicated residues conferred. The numbers with underline 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.