Table 10 Possible binding sites of NSP15 against known anti-viral drugs
Drugs | Total binding sites | (6VWW) NSP15 endoribonuclease of COVID-19 | |||
|---|---|---|---|---|---|
Amprenavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 2 | 1 | Superposition type | L | |
RMSD | 0.90 Å | ||||
Amino acid targets of drug | 72 ILE 157 GLY 156 VAL | ||||
No. of residues in known binding | 25 | ||||
Human similar targets | 4 | ||||
2 | Superposition type | L | |||
RMSD | 0.66 Å | ||||
Amino acid targets of drug | 251 LEU 276 VAL 296 ILE | ||||
No. of residues in known binding | 19 | ||||
Human similar targets | 5 | ||||
Atazanavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.83 Å | ||||
Amino acid targets of drug | 72 ILE 157 GLY 156 VAL | ||||
No. of residues in known binding | 24 | ||||
Human similar targets | 4 | ||||
Darunavir | Known similar target molecule | Protease, HIV-2 | |||
Binding properties | 5 | 1 | Superposition type | L | |
RMSD | 1.00 Å | ||||
Amino acid targets of drug | 3 LEU 23 VAL 6 VAL | ||||
No. of residues in known binding | 20 | ||||
Human similar targets | 6 | ||||
2 | Superposition type | L | |||
RMSD | 0.95 Å | ||||
Amino acid targets of drug | 72 ILE 157 GLY 156 VAL | ||||
No. of residues in known binding | 20 | ||||
Human similar targets | 10 | ||||
3 | Superposition type | R | |||
RMSD | 0.77 Å | ||||
Amino acid targets of drug | 73 LEU 80 ILE 86 ILE | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 12 | ||||
4 | Superposition type | R | |||
RMSD | 0.91 Å | ||||
Amino acid targets of drug | 300 LEU 212 ILE 253 ILE | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 12 | ||||
5 | Superposition type | L | |||
RMSD | 0.77 Å | ||||
Amino acid targets of drug | 300 LEU 296 ILE 253 ILE | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 12 | ||||
Indinavir | Known similar target molecule | Protease retropepsin, HIV-1 | |||
Binding properties | 3 | 1 | Superposition type | R | |
RMSD | 0.99 Å | ||||
Amino acid targets of drug | 122 VAL 119 PRO 80 ILE | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 6 | ||||
2 | Superposition type | R | |||
RMSD | 0.87 Å | ||||
Amino acid targets of drug | 173 VAL 170 GLY 169 ILE | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 3 | ||||
3 | Superposition type | L | |||
RMSD | 0.96 Å | ||||
Amino acid targets of drug | 321 VAL 344 PRO 323 ILE | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 6 | ||||
Lopinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 3 | 1 | Superposition type | R | |
RMSD | 0.90 Å | ||||
Amino acid targets of drug | 122 VAL 119 PRO 80 ILE | ||||
No. of residues in known binding | 23 | ||||
Human similar targets | 6 | ||||
2 | Superposition type | R | |||
RMSD | 0.80 Å | ||||
Amino acid targets of drug | 247 GLY 248 GLY 236 ILE | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 6 | ||||
3 | Superposition type | L | |||
RMSD | 0.89 Å | ||||
Amino acid targets of drug | 321 VAL 344 PRO 323 ILE | ||||
No. of residues in known binding | 23 | ||||
Human similar targets | 6 | ||||
Saquinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 3 | 1 | Superposition type | L | |
RMSD | 0.81 Å | ||||
Amino acid targets of drug | 72 ILE 157 GLY 156 VAL | ||||
No. of residues in known binding | 31 | ||||
Human similar targets | 11 | ||||
2 | Superposition type | R | |||
RMSD | 0.92 Å | ||||
Amino acid targets of drug | 122 VAL 119 PRO 80 ILE | ||||
No. of residues in known binding | 31 | ||||
Human similar targets | 5 | ||||
3 | Superposition type | L | |||
RMSD | 0.68 Å | ||||
Amino acid targets of drug | 321 VAL 344 PRO 323 ILE | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 9 | ||||
Tipranavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.88 Å | ||||
Amino acid targets of drug | 72 ILE 157 GLY 156 VAL | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 3 | ||||
Torimifene | Known similar target molecule | ENV, Glycoprotein-1, Zaire ebola virus | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.88 Å | ||||
Amino acid targets of drug | 72 ILE 157 GLY 156 VAL | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 3 | ||||