Table 4.
Interacting residues of the nsp12-7-8 complex involved in contacts with viral RNA in the absence and presence of drugs, where drugs targeted nsp12 prior to the formation of nsp12-7-8 complex.
| (nsp12 to nsp7-8) to RNA | (nsp12 with drug) to nsp7-8 to RNA |
||||||||
| IDX_184 | Remdesivir | Ribavirin | YAK | ||||||
| Position | Residue | Position | Residue | Position | Residue | Position | Residue | Position | Residue |
| 21 (nsp7) | Arg | 21 (nsp7) | Arg | 31 (nsp7) | Gln | 19 (nsp7) | Gln | 21 (nsp7) | Arg |
| 26 (nsp7) | Ser | 23 (nsp7) | Glu | 54 (nsp7) | Ser | 21 (nsp7) | Arg | 23 (nsp7) | Glu |
| 73 (nsp8) | Gln | 26 (nsp7) | Ser | 57 (nsp7) | Ser | 23 (nsp7) | Glu | 27 (nsp7) | Lys |
| 75 (nsp8) | Arg | 29 (nsp7) | Trp | 61 (nsp8) | Lys | 27 (nsp7) | Lys | 34 (nsp7) | Gln |
| 76 (nsp8) | Ser | 69 (nsp8) | Gln | 65 (nsp8) | Gln | 34 (nsp7) | Gln | 37 (nsp7) | Asn |
| 80 (nsp8) | Arg | 75 (nsp8) | Arg | 406 (nsp12) | Ala | 37 (nsp7) | Asn | 65 (nsp8) | Gln |
| 408 (nsp12) | Gln | 65 (nsp8) | Gln | 73 (nsp8) | Gln | ||||
| 73 (nsp8) | Gln | 76 (nsp8) | Ser | ||||||
| 76 (nsp8) | Ser | 80 (nsp8) | Arg | ||||||
| 77 (nsp8) | Glu | 164 (nsp8) | Ser | ||||||
| 80 (nsp8) | Arg | ||||||||
| 164 (nsp8) |
Ser |
||||||||
| (nsp12 to nsp7-8) to RNA | (nsp12 with drug) to nsp7-8 to RNA |
||||||||
| Galidesivir | Setrobuvir | Sofosbuvir | Tenofovir | ||||||
| Position |
Residue |
Position |
Residue |
Position |
Residue |
Position |
Residue |
Position |
Residue |
| 21 (nsp7) | Arg | 27 (nsp7) | Lys | 21 (nsp7) | Arg | 499 (nsp12) | Asp | 19 (nsp7) | Gln |
| 26 (nsp7) | Ser | 61 (nsp8) | Lys | 24 (nsp7) | Ser | 521 (nsp12) | Tyr | 21 (nsp7) | Arg |
| 73 (nsp8) | Gln | 65 (nsp8) | Gln | 26 (nsp7) | Ser | 814 (nsp12) | Ser | 23 (nsp7) | Glu |
| 75 (nsp8) | Arg | 127 (nsp8) | Lys | 37 (nsp7) | Asn | 903 (nsp12) | Tyr | 30 (nsp7) | Ala |
| 76 (nsp8) | Ser | 73 (nsp8) | Gln | 37 (nsp7) | Asn | ||||
| 80 (nsp8) | Arg | 75 (nsp8) | Arg | 80 (nsp8) | Arg | ||||