Table 2.
Distinct crystallographic hydrogen bonds and contacts in the CoV-2 and CoV complexes
| CoV-2 |
CoV |
hACE2 |
Hydrogen bond |
Contact |
|---|---|---|---|---|
| Residue | Residue | Residue | CoV-2/CoV | CoV-2/CoV |
| K417 | V404 | D30 | sc-sc/-a,b | – |
| N439 | R426 | Q325 | -/sc-sc | – |
| N439 | R426 | E329 | -/sc-sc | – |
| G446 | T433 | Q42 | mc-sc/-a,b | – |
| L455c | Y442 | K31 | – | -/p-npa,b |
| L455c | Y442 | H34 | – | np-np/-a,b |
| F456 | L443 | D30 | – | np-np/- |
| A475 | P462 | Q24 | – | p-np/- |
| F486 | L472 | M82 | – | np-np/np-p |
| F486 | L472 | Y83 | – | np-np/- |
| Q493c | N479 | K31 | – | p-np/- |
| Q493c | N479 | E35 | sc-sc/- | – |
| G496 | G482 | K353 | mc-sc/- | – |
| Q498 | Y484 | L45 | – | -/np-np |
| T500 | T486 | L45 | – | -/p-np |
| T500 | T486 | N330 | -/mc-sc | – |
| N501c | T487 | K353 | – | p-np/np-np |
| G502 | G488 | D355 | – | -/p-p |
| V503 | I489 | Q325 | – | -/np-p |
| Y505 | Y491 | R393 | sc-sc/- | – |
Structurally equivalent residues in the CoV-2 and CoV RBMs are included in the same row.
a
“sc” and “mc” denote hydrogen bonds involving side-chain and main-chain atoms, respectively; “np” and “p” denote contacts involving nonpolar and polar moieties.
b
The absence of a hydrogen bond or contact in a complex is denoted by “-.”
c
Designed position.