Table 1.
Comparison of hACE2 binding to SARS‐CoV‐2 RBD, GD/1/2019 RBD, and GX/P2V/2017 RBD.
| hACE2 | SARS‐CoV‐2 RBD | GD/1/2019 RBD | GX/P2V/2017 RBD |
|---|---|---|---|
| S19 (7/0/1) | A475 (3,1), G476 (4) | S477 (1) | |
| Q24 (24/22/30) | A475 (4), G476 (5), N487 (15, 1) | A475 (4), G476 (7), N487 (11,1) | A475 (6), G476 (8), N487 (15,1), Y489 (1) |
| T27 (15/22/10) | F456 (5), Y473 (1), A475 (2), Y489 (7) | F456 (13). Y473(2), A475(1), Y489 (6) | F456 (8), A475 (1), Y489 (5,1) |
| F28 (7/0/6) | Y489 (7) | Y489 (6,1) | |
| D30 (10/25/12) | K417 (4, 1), L455 (2), F456 (4) | R417 (8,2), L455 (7), F456 (10) | L455 (9), F456 (3) |
| K31 (19/11/22) | L455 (2), F456 (5), E484 (1), Y489 (6), F490 (2), Q493 (3) | L455 (2), F456 (7), Q493 (2) | L455 (1), F456 (4), Y489 (9), E493 (8) |
| H34 (20/36/22) | Y453 (5, 1), L455 (9), Q493 (6) | R417 (10), Y453 (7), L455 (10), Q493 (9,1) | Y453 (9,1), L455 (5), E493 (9) |
| E35 (8/12/0) | Q493 (8) | Q493 (12) | |
| E37 (7/10/13) | Y505 (7) | Y505 (10,1) | Y505 (11) |
| D38 (15/11/18) | Y449 (9, 1), G496 (5), Q498 (1) | Y449 (9), G496 (2) | Y449 (8), R494 (1), G496 (8), H498 (1) |
| Y41 (23/35/29) | Q498 (8), T500 (7, 1), N501 (8, 1) | H498 (16), T500 (6), N501 (13,1) | H498 (16), T500 (6,1), T501 (7) |
| Q42 (16/8/12) | G446 (4, 1), Y449 (4, 1), Q498 (8, 2) | Y449 (7,1), H498 (1) | G446 (1), Y449 (10,1), H498 (1) |
| L45 (4/5/2) | Q498 (3), T500 (1) | H498 (3), T500 (2) | H498 (1), T500 (1) |
| L79 (2/4/0) | F486 (2) | F486 (4) | |
| M82 (9/11/2) | F486 (9) | F486 (11) | L486 (2) |
| Y83 (20/16/5) | F486 (11), N487 (8, 1), Y489 (1) | F486 (11), N487 (5,1) | N487 (5,1) |
| N330 (8/9/4) | T500 (8) | T500 (9,1) | T500 (4) |
| K353 (50/53/38) | G496 (7, 1), N501 (11), G502 (4, 1), Y505 (28) | G496 (6,1), N501 (16), G502 (4,1), Y505 (27) | G496 (6,1), T501 (7), G502 (3,1), Y505 (22) |
| G354 (11/10/13) | G502 (7), Y505 (4) | G502 (6), Y505 (4) | T501 (1), G502 (6), N504 (3), Y505 (3) |
| D355 (9/12/11) | T500 (8,), G502 (1) | T500 (11,1), G502 (1) | T500 (9), T501 (1), G502 (1) |
| R357 (3/6/3) | T500 (3) | T500 (6,1) | T500 (3,1) |
| R393 (1/0/2) | Y505 (1) | Y505 (2) | |
| Total | 288 (14) | 318 (13) | 258 (10) |
Numbers in the parentheses beside hACE2 residues represent the number of vdw contacts between the indicated residue with the SARS‐CoV‐2 RBD, GD/1/2019 RBD, or GX/P2V/2017 RBD. Numbers in parentheses beside either ligand residues represent the number 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 4.5 Å and H‐bonds at a cutoff of 3.5 Å.