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. 2021 May 11;120(14):2859–2871. doi: 10.1016/j.bpj.2021.02.049

Table 1.

Common crystallographic intermolecular 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
Y449 Y436 D38 sc-sca
Y449 Y436 Q42 sc-sc
Y453 Y440 H34 p-npa
F456 L443 T27 np-npa
F486 L472 L79 np-np
N487 N473 Q24 sc-sc
N487 N473 Y83 sc-sc
Y489 Y475 T27 np-np
Y489 Y475 F28 p-np
Y489 Y475 K31 np-np
Y489 Y475 Y83 sc-sc
G496 G482 K353 p-np
Q498 Y484 Y41 np-np
Q498 Y484 Q42 p-p
T500 T486 Y41 sc-sc
T500 T486 N330 np-np
T500 T486 D355 p-p
T500 T486 R357 np-p
N501b T487 Y41 mc-sc
G502 G488 K353 sc-mc
G502 G488 G354 np-p
Y505 Y491 E37 sc-sc
Y505 Y491 K353 np-np
Y505 Y491 G354 np-p

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

Designed position.