Table 7 Possible binding sites of NSP7-NSP8-NSP12 complex against known anti-viral drugs
Drugs | Total binding sites | (6M71) NSP7-NSP8-NSP12 complex of COVID-19 | |||
|---|---|---|---|---|---|
Amprenavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 3 | 1 | Superposition type | L | |
RMSD | 0.78 Å | ||||
Amino acid targets of drug | 223 ILE 203 GLY 204 VAL | ||||
No. of residues in known binding | 25 | ||||
Human similar targets | 4 | ||||
2 | Superposition type | R | |||
RMSD | 0.66 Å | ||||
Amino acid targets of drug | 201 ILE 203 GLY 204 VAL | ||||
No. of residues in known binding | 25 | ||||
Human similar targets | 5 | ||||
3 | Superposition type | L | |||
RMSD | 0.89 Å | ||||
Amino acid targets of drug | 760 ASP 786 LEU 166 VAL | ||||
No. of residues in known binding | 28 | ||||
Human similar targets | 11 | ||||
Known similar target molecule | Protease, HIV-1 | ||||
Atazanavir | Binding properties | 1 | 1 | Superposition type | R |
RMSD | 0.69 Å | ||||
Amino acid targets of drug | 201 ILE 203 GLY 204 VAL | ||||
No. of residues in known binding | 24 | ||||
Human similar targets | 4 | ||||
Darunavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 6 | 1 | Superposition type | L | |
RMSD | 0.64 Å | ||||
Amino acid targets of drug | 223 ILE 203 GLY 204 VAL | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 6 | ||||
2 | Superposition type | R | |||
RMSD | 0.69 Å | ||||
Amino acid targets of drug | 201 ILE 203 GLY 204 VAL | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 6 | ||||
3 | Superposition type | R | |||
RMSD | 0.90 Å | ||||
Amino acid targets of drug | 103 LEU 119 ILE 107 ILE | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 12 | ||||
4 | Superposition type | R | |||
RMSD | 0.74 Å | ||||
Amino acid targets of drug | 102 ALA 106 ILE 53 VAL | ||||
No. of residues in known binding | 19 | ||||
Human similar targets | 12 | ||||
Indinavir | Known similar target molecule | Polyprotein, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.87 Å | ||||
Amino acid targets of drug | 201 ILE 200 GLY 230 GLY | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 7 | ||||
Nelfinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 2 | 1 | Superposition type | L | |
RMSD | 0.84 Å | ||||
Amino acid targets of drug | 358 ASP 534 ASN 567 THR | ||||
No. of residues in known binding | 30 | ||||
Human similar targets | 10 | ||||
2 | Superposition type | R | |||
RMSD | 0.63 Å | ||||
Amino acid targets of drug | 631 ARG 663 LEU 662 VAL | ||||
No. of residues in known binding | 30 | ||||
Human similar targets | 10 | ||||
Rimantadine | Known similar target molecule | M2 protein, Influeza A | |||
Binding properties | 1 | 1 | Superposition type | R | |
RMSD | 0.91 Å | ||||
Amino acid targets of drug | 771 ALA 772 SER 774 GLY | ||||
No. of residues in known binding | 9 | ||||
Human similar targets | 0 | ||||
Saquinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 3 | 1 | Superposition type | L | |
RMSD | 0.73 Å | ||||
Amino acid targets of drug | 820 VAL 830 PRO 817 THR | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 6 | ||||
2 | Superposition type | R | |||
RMSD | 0.91 Å | ||||
Amino acid targets of drug | 623 ASP 678 GLY 462 THR | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 0 | ||||
3 | Superposition type | R | |||
RMSD | 0.61 Å | ||||
Amino acid targets of drug | 201 ILE 203 GLY 204 VAL | ||||
No. of residues in known binding | 31 | ||||
Human similar targets | 11 | ||||
Tipranavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 2 | 1 | Superposition type | L | |
RMSD | 0.82 Å | ||||
Amino acid targets of drug | 223 ILE 203 GLY 204 VAL | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 3 | ||||
2 | Superposition type | R | |||
RMSD | 0.58 Å | ||||
Amino acid targets of drug | 201 ILE 203 GLY 204 VAL | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 3 | ||||