Table 3. List of residues involved in SARS-CoV-ACE2 interaction.
The residues with hydrogen bonding, better surface complementarity and buried SASA are tabulated and a few other weak interactions are ignored.
| Residue | Closest | Distance | Interactions | # HB | # SB | # vWC | SC | B_SASA |
|---|---|---|---|---|---|---|---|---|
| B:426:Arg | D:329:Glu | 2.7 A | 2x hb, 1x salt bridge, 1x clash to D:329:Glu | 2 | 1 | 1 | 0.43 | 72.0% |
| B:436:Tyr | D:38:Asp
D:42:Gln |
3.2 A
3.2 A |
1x hb to D:38:Asp | 1 | 0 | 0 | 0.75 | 36.9% |
| B:462:Pro | D:19:Ser
D:24:Gln |
2.8 A
3.7 A |
1x hb to D:19:Ser | 1 | 0 | 0 | 0.73 | 87.3% |
| B:486:Thr | D:41:Tyr
D:330:Asn D:355:Asp D:357:Arg |
2.8 A
2.9 A 3.1 A 3.8 A |
1x hb to D:41:Tyr | 1 | 0 | 0 | 0.87 | 79.8% |
| B:488:Gly | D:353:Lys
D:354:Gly D:355:Asp |
3.0 A
3.9 A 4.0 A |
1x hb to D:353:Lys | 1 | 0 | 0 | 0.65 | 94.9% |
| B:491:Tyr | D:353:Lys
D:354:Gly D:393:Arg |
3.2 A
3.6 A 3.7 A |
0 | 0 | 0 | 0.85 | 70.0% |
HB, hydrogen bond; DS, disulfides, vWC, van der Wsals clash; SC, surface complementarity; B_SASA, buried solvent accessible surface area (SASA).