Table 3. Interatomic contacts between RBD Q498Y and ACE2.
van der Waals interactions, salt bridges and hydrogen bonds are listed based on distance cutoffs of 4, 4.5 and 3.4 Å, respectively.
| RBD | ACE2 | Distance (Å) | Bond type |
|---|---|---|---|
| Lys417 Cɛ | Asp30 Cγ | 4.0 | van der Waals |
| Lys417 Cɛ | Asp30 Oδ1 | 3.9 | van der Waals |
| Lys417 Cɛ | Asp30 Oδ2 | 3.2 | van der Waals |
| Lys417 Nζ | Asp30 Cγ | 3.9 | van der Waals |
| Lys417 Nζ | Asp30 Oδ2 | 2.8 | Salt bridge |
| Lys417 Nζ | Asp30 Oδ1 | 4.3 | Salt bridge |
| Tyr449 Cɛ1 | Asp38 Cγ | 3.6 | van der Waals |
| Tyr449 Cɛ1 | Asp38 Oδ2 | 3.2 | van der Waals |
| Tyr449 Cɛ1 | Asp38 Oδ1 | 3.4 | van der Waals |
| Tyr449 Cζ | Asp38 Cγ | 3.8 | van der Waals |
| Tyr449 Cζ | Asp38 Oδ2 | 3.4 | van der Waals |
| Tyr449 Cζ | Asp38 Oδ1 | 3.4 | van der Waals |
| Tyr449 Oη | Asp38 Cγ | 3.1 | van der Waals |
| Tyr449 Oη | Asp38 Oδ2 | 3.0 | Hydrogen bond |
| Tyr449 Oη | Asp38 Oδ1 | 2.5 | Hydrogen bond |
| Tyr449 Oη | Gln42 Cγ | 4.0 | van der Waals |
| Tyr449 Oη | Gln42 Cδ | 3.5 | van der Waals |
| Tyr449 Oη | Gln42 Oɛ1 | 3.8 | van der Waals |
| Tyr449 Oη | Gln42 Nɛ2 | 3.4 | Hydrogen bond |
| Leu455 Cδ1 | Asp30 Oδ2 | 3.9 | van der Waals |
| Phe456 Cδ1 | Thr27 Cγ2 | 3.8 | van der Waals |
| Phe456 Cɛ1 | Thr27 Cγ2 | 3.5 | van der Waals |
| Phe456 Cɛ1 | Asp30 Oδ2 | 3.3 | van der Waals |
| Phe456 Cζ | Thr27 Cγ2 | 4.0 | van der Waals |
| Ala475 O | Gln24 Cγ | 3.4 | van der Waals |
| Phe486 Cδ1 | Tyr83 Oη | 3.9 | van der Waals |
| Phe486 Cɛ1 | Met82 Cβ | 3.6 | van der Waals |
| Phe486 Cɛ1 | Tyr83 Cɛ1 | 3.9 | van der Waals |
| Phe486 Cɛ1 | Tyr83 Cζ | 3.6 | van der Waals |
| Phe486 Cɛ1 | Tyr83 Oη | 3.5 | van der Waals |
| Phe486 Cζ | Tyr83 Cɛ1 | 3.9 | van der Waals |
| Asn487 Cγ | Gln24 Oɛ1 | 3.3 | van der Waals |
| Asn487 Cγ | Tyr83 Oη | 3.4 | van der Waals |
| Asn487 Oδ1 | Gln24 Oɛ1 | 3.6 | van der Waals |
| Asn487 Oδ1 | Gln24 Cβ | 3.9 | van der Waals |
| Asn487 Oδ1 | Gln24 Cγ | 3.8 | van der Waals |
| Asn487 Oδ1 | Tyr83 Cɛ1 | 3.7 | van der Waals |
| Asn487 Oδ1 | Tyr83 Cζ | 3.7 | van der Waals |
| Asn487 Oδ1 | Tyr83 Oη | 2.8 | Hydrogen bond |
| Asn487 Nδ2 | Gln24 Cδ | 3.5 | van der Waals |
| Asn487 Nδ2 | Gln24 Oɛ1 | 2.4 | Hydrogen bond |
| Asn487 Nδ2 | Tyr83 Cɛ1 | 4.0 | van der Waals |
| Asn487 Nδ2 | Tyr83 Oη | 3.9 | van der Waals |
| Tyr489 Cδ2 | Lys31 Cγ | 4.0 | van der Waals |
| Tyr489 Cɛ1 | Thr27 Cγ2 | 3.9 | van der Waals |
| Tyr489 Oη | Phe28 Cβ | 3.9 | van der Waals |
| Tyr489 Oη | Tyr83 Oη | 3.3 | Hydrogen bond |
| Tyr489 Oη | Phe28 N | 3.8 | van der Waals |
| Tyr489 Oη | Phe28 Cα | 3.7 | van der Waals |
| Gln493 Nɛ2 | His34 Cβ | 3.5 | van der Waals |
| Gln493 Nɛ2 | His34 C | 3.7 | van der Waals |
| Gln493 Nɛ2 | Glu35 N | 3.9 | van der Waals |
| Gln493 Nɛ2 | His34 O | 3.7 | van der Waals |
| Gly496 Cα | Lys353 Nζ | 3.7 | van der Waals |
| Gly496 C | Lys353 Nζ | 3.8 | van der Waals |
| Gly496 O | Lys353 Cδ | 3.9 | van der Waals |
| Gly496 O | Lys353 Cɛ | 3.8 | van der Waals |
| Gly496 O | Lys353 Nζ | 3.1 | Hydrogen bond |
| Tyr498 Cβ | Tyr41 Cɛ2 | 3.9 | van der Waals |
| Tyr498 Cγ | Tyr41 Cɛ2 | 3.6 | van der Waals |
| Tyr498 Cδ1 | Tyr41 Cδ2 | 3.8 | van der Waals |
| Tyr498 Cδ1 | Tyr41 Cɛ2 | 3.4 | van der Waals |
| Tyr498 Cɛ1 | Lys353 Nζ | 3.8 | van der Waals |
| Tyr498 Cɛ1 | Tyr41 Cδ2 | 3.8 | van der Waals |
| Tyr498 Cɛ1 | Tyr41 Cɛ2 | 3.9 | van der Waals |
| Tyr498 Cɛ2 | Gln42 Oɛ1 | 4.0 | van der Waals |
| Tyr498 Cζ | Gln42 Oɛ1 | 3.6 | van der Waals |
| Tyr498 Oη | Asp38 Oδ1 | 3.8 | van der Waals |
| Tyr498 Oη | Gln42 Cγ | 3.8 | van der Waals |
| Tyr498 Oη | Gln42 Cδ | 3.1 | van der Waals |
| Tyr498 Oη | Gln42 Oɛ1 | 2.7 | Hydrogen bond |
| Tyr498 Oη | Gln42 Nɛ2 | 3.7 | van der Waals |
| Thr500 C | Tyr41 Oη | 3.6 | van der Waals |
| Thr500 C | Asp355 Oδ2 | 3.8 | van der Waals |
| Thr500 O | Tyr41 Oη | 3.7 | van der Waals |
| Thr500 O | Asp355 Cγ | 3.4 | van der Waals |
| Thr500 O | Asp355 Oδ1 | 3.8 | van der Waals |
| Thr500 O | Asp355 Oδ2 | 3.2 | Hydrogen bond |
| Thr500 O | Asn330 Nδ2 | 4.0 | van der Waals |
| Thr500 Cβ | Tyr41 Oη | 3.6 | van der Waals |
| Thr500 Cβ | Arg357 Nη2 | 3.7 | van der Waals |
| Thr500 Cβ | Asp355 Oδ2 | 3.5 | van der Waals |
| Thr500 Cβ | Asn330 Nδ2 | 3.9 | van der Waals |
| Thr500 Oγ1 | Tyr41 Cζ | 3.7 | van der Waals |
| Thr500 Oγ1 | Tyr41 Oη | 2.5 | Hydrogen bond |
| Thr500 Oγ1 | Arg357 Nη2 | 3.7 | van der Waals |
| Thr500 Oγ1 | Asp355 Oδ2 | 3.4 | Hydrogen bond |
| Thr500 Cγ2 | Arg357 Nη2 | 3.9 | van der Waals |
| Asn501 N | Tyr41 Oη | 3.6 | van der Waals |
| Asn501 Cα | Lys353 O | 3.8 | van der Waals |
| Asn501 Cα | Tyr41 Oη | 3.9 | van der Waals |
| Asn501 C | Lys353 O | 3.8 | van der Waals |
| Ans501 Oδ1 | Lys353 Cδ | 3.8 | van der Waals |
| Ans501 Oδ1 | Lys353 Cβ | 3.7 | van der Waals |
| Ans501 Oδ1 | Tyr41 Cɛ2 | 3.2 | van der Waals |
| Ans501 Oδ1 | Tyr41 Cζ | 3.2 | van der Waals |
| Asn501 Oδ1 | Tyr41 Oη | 3.2 | Hydrogen bond |
| Asn501 Nδ2 | Lys353 Cδ | 3.9 | van der Waals |
| Gly502 N | Lys353 C | 3.9 | van der Waals |
| Gly502 N | Lys353 O | 2.8 | Hydrogen bond |
| Gly502 N | Gly354 C | 3.8 | van der Waals |
| Gly502 N | Gly354 O | 3.6 | van der Waals |
| Gly502 Cα | Lys353 O | 3.6 | van der Waals |
| Gly502 Cα | Gly354 Cα | 3.9 | van der Waals |
| Gly502 Cα | Gly354 C | 3.8 | van der Waals |
| Gly502 Cα | Gly354 O | 3.3 | van der Waals |
| Tyr505 Cβ | Lys353 O | 3.6 | van der Waals |
| Tyr505 Cγ | Lys353 Cα | 3.7 | van der Waals |
| Tyr505 Cγ | Lys353 C | 3.8 | van der Waals |
| Tyr505 Cγ | Lys353 O | 3.8 | van der Waals |
| Tyr505 Cγ | Lys353 Cβ | 4.0 | van der Waals |
| Tyr505 Cδ2 | Lys353 Cα | 3.5 | van der Waals |
| Tyr505 Cδ2 | Lys353 C | 3.3 | van der Waals |
| Tyr505 Cδ2 | Lys353 O | 3.7 | van der Waals |
| Tyr505 Cδ2 | Gly354 N | 3.6 | van der Waals |
| Tyr505 Cɛ2 | Lys353 Cα | 3.7 | van der Waals |
| Tyr505 Cɛ2 | Lys353 C | 3.9 | van der Waals |
| Tyr505 Cɛ2 | Gly354 N | 3.9 | van der Waals |
| Tyr505 Cζ | Glu37 Oɛ2 | 3.9 | van der Waals |
| Tyr505 Oη | Glu37 Cδ | 3.8 | van der Waals |
| Tyr505 Oη | Glu37 Oɛ1 | 3.9 | van der Waals |
| Tyr505 Oη | Glu37 Oɛ2 | 3.6 | van der Waals |