Table 5.
Interaction types with surrounding amino acids of SARS CoV 2 Main Protease (PDB ID: 6XBH) with inhibitor Index number 741
| Name | Distance(Å) | Interaction Types | From | From Chemistry | To | To Chemistry | Angle DHA º | Angle HAY º |
|---|---|---|---|---|---|---|---|---|
| A:THR26:HN -:RES1:O1 | 2.848 | Conventional H-Bond | A:THR26:HN | H-Donor | :RES1:O1 | H-Acceptor | 148.7 | 95.7 |
| A:GLU166:HN -:RES1:O5 | 1.687 | Conventional H-Bond | A:GLU166:HN | H-Donor | :RES1:O5 | H-Acceptor | 169.4 | 159.2 |
| :RES1:H11 -A:GLU166:O | 2.089 | Conventional H-Bond | :RES1:H11 | H-Donor | A:GLU166:O | H-Acceptor | 142.2 | 145.3 |
| :RES1:H22 -A:HIE164:O | 2.505 | Conventional H-Bond | :RES1:H22 | H-Donor | A:HIE164:O | H-Acceptor | 146.1 | 133.0 |
| :RES1:H3 -A:THR26:O | 2.852 | Conventional H-Bond | :RES1:H3 | H-Donor | A:THR26:O | H-Acceptor | 134.8 | 136.5 |
| A:MET165:HA -:RES1:O5 | 2.750 | Carbon H-Bond | A:MET165:HA | H-Donor | :RES1:O5 | H-Acceptor | 113.7 | 123.2 |
| :RES1:H10 -A:GLU166:O | 2.674 | Carbon H-Bond | :RES1:H10 | H-Donor | A:GLU166:O | H-Acceptor | 146.3 | 121.9 |
| A:CYS145:SG -:RES1 | 5.282 | Π-Sulfur | A:CYS145:SG | Sulfur | :RES1 | Π-Orbitals | ||
| A:MET165:SD -:RES1 | 4.377 | Π-Sulfur | A:MET165:SD | Sulfur | :RES1 | Π-Orbitals | ||
| A:MET165:SD -:RES1 | 5.480 | Π-Sulfur | A:MET165:SD | Sulfur | :RES1 | Π-Orbitals | ||
| A:HIE41 -:RES1 | 4.171 | Π- Π Stacked | A:HIE41 | Π-Orbitals | :RES1 | Π-Orbitals | ||
| :RES1 -A:MET49 | 5.242 | Π-Alkyl | :RES1 | Π-Orbitals | A:MET49 | Alkyl | ||