Table 3.
List of residues forming direct interactions in the ACE2 PD–SARS-CoV S protein RBD complexes.
| ACE2–SARS-CoV RBD | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| ACE2—RBD (PDB 2AJF) | hACE-RBD | cavACE2 | dogACE2 | catACE2 | ratACE2 | rabACE2 | ferACE2 | musACE2 | hamACE2 | macACE2 | |
| H-bond/polar interactions | Q24-N473, T27-Y475, E37-Y491, D38-Y436, Y41-T486, Y41-T487, Q42-Y436, Y83-N473, N330-T486, K353-G488 | Q24-N473, T27-Y475, E37-Y491, D38-Y436, Y41-T486, Y41-T487, Q42-Y436, Y83-N473, N330-T486, K353-G488 | Q24-N473, Q24-D463, E37-Y491, D38-Y436, Y41-T486, Y41-T487, Y83-N473, K353-T486, K353-T486 | E38-Y436, Y41-T486, N330-T486 | E37-Y491, E38-T484, Y83-N473, K355-G488 | K24-N473, S27-Y475, K31-Y442, K31-N479, E35-N479, D38-Y436, Y41-T486, H353-G488 | L24-N473, K31-Y442, K31-N479, E37-Y491, Y83-Y475, Y83-N473, K353-G488 | L24-N473, K31-Y442, E35-N479, E37-Y491, E38-Y436, Y41-T486, Y83-N473, K353-G488 | N24-N473, N34-Y440, E35-N479, E37-Y491, D38-Y436, H353-G488 | T27-Y475, Q34-Y440, E37-Y491, Y83-N473, K353-Y481, K353-G482, K353-G488 | Q24-N473, K31-N479, E35-N479, E37-Y491, D38-Y436, Y83-N473, K353-Y481, K353-G482, K353-G488 |
| Salt bridge | E329-R426 | E329-R426 | E326-R426 | E331-R426 | K24-D463 | E329-R426 | E329-R426 | ||||
| Hydrophobic | F28-Y475, Y41-Y484, L45-Y484, L79-L472, M82-L472, K353-Y491 | F28-Y475, Y41-Y484, L45-Y484, L79-L472, M82-L472, K353-Y491 | F28-Y475, L34-Y440, L34-Y442, Y41-Y484, K353-Y491 | L24-P462, L24-D463, F28-Y475, F28-N473, K31-Y475, Y34-Y440, Y34-Y442, Y41-Y484, L45-Y484, K353-Y491 | L24-P462, L24-D463, F28-Y475, K31-Y475, H34-Y442, Y41-Y484, L79-L472 | F28-Y475, Q34-Y440, Y41-Y484, H353-Y491, H353-Y484 | L24-D463, L24-P462, T27-F460, T27-L443, F28-Y475, Y41-Y484, Y41-T487, L45-Y484, L79-L472, T82-L472, K353-Y491, K353-T487 | F28-Y475, T27-F460, T27-L443, Y34-Y440, Y41-Y484, H79-L472, T82-L472, K353-Y491, K353-T487 | N24-P462, T27, L443, T27-F460, F28-Y475, L45-Y484, Y41-Y484, T79-L472, H353-Y491, H353-T487 | F28-Y475, Y41-Y484, L79-L472, K353-Y491 | T27-F460, F28-Y475, Y41-Y484, L79-L472, K353-Y491 |
| Can be infected | Yes | Yes49 | / | Yes23 | No/yes28 | / | Yes23 | Yes28 | Yes50 | Yes63 | |
| Present symptoms | Yes | Yes49 | / | No/mild23 | No49 | / | Yes23 | No/mild28 | Yes50 | Yes63 | |
Residues forming contacts in the crystal structure (PDB ID: 2AJF) and in the HADDOCK docking models are listed by their position and by their single-letter identity, with the first residue belonging to ACE2 and the second to the S protein. Interactions were identified using PyMol and PDBePISA.