Table 3.
Interactions of the amino acid residues of the spike protein receptor-binding domain/ACE2 complex of SARS-CoV-2 (PDB ID: 6LZG) with DIZE and candesartan using PLIP.
| Amino Acids of Spike Protein RBD Involved and Distance of Interactions (Å) | ||||
|---|---|---|---|---|
| Type of Interactions | DIZE | Candesartan | ||
| Hydrogen Bonds | Asn210 | 2.36 | Gln98 | 2.38 |
| Asn210 | 2.26 | Gln102 | 2.16 | |
| Ala396 | 1.80 | Tyr196 | 2.94 | |
| Ser563 | 2.70 | Asp206 | 3.70 | |
| Ser563 | 2.02 | Asn210 | 2.10 | |
| Glu564 | 1.93 | Asn210 | 2.26 | |
| Trp566 | 3.03 | Asn210 | 2.66 | |
| Hydrophobic Interactions | Leu91 | 3.11 | Leu95 | 3.07 |
| Leu95 | 3.28 | Asp206 | 3.47 | |
| Val209 | 3.71 | Glu208 | 3.81 | |
| Val212 | 2.96 | Val209 | 3.44 | |
| Pro565 | 3.09 | Pro565 | 3.48 | |
| π-cation Interactions | - | Lys562 | 4.94 | |
| Salt Bridges | - | Lys562 | 3.23 | |