Table 11 Possible binding sites of NSP16-NSP10 complex against known anti-viral drugs
Drugs | Total binding sites | (7BQ7) NSP16-NSP10 complex of COVID-19 | |||
|---|---|---|---|---|---|
Amprenavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 2 | 1 | Superposition type | L | |
RMSD | 0.54 Å | ||||
Amino acid targets of drug | 106 ASP 70 GLY 71 ALA | ||||
No. of residues in known binding | 18 | ||||
Human similar targets | 4 | ||||
2 | Superposition type | L | |||
RMSD | 0.96 Å | ||||
Amino acid targets of drug | 157 ILE 208 GLY 207 ILE | ||||
No. of residues in known binding | 24 | ||||
Human similar targets | 6 | ||||
Atazanavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 3 | 1 | Superposition type | R | |
RMSD | 0.94 Å | ||||
Amino acid targets of drug | 107 PRO 108 VAL 38 ILE | ||||
No. of residues in known binding | 19 | ||||
Human similar targets | 4 | ||||
2 | Superposition type | L | |||
RMSD | 0.92 Å | ||||
Amino acid targets of drug | 78 ARG 107 PRO 108 VAL | ||||
No. of residues in known binding | 23 | ||||
Human similar targets | 3 | ||||
3 | Superposition type | L | |||
RMSD | 0.88 Å | ||||
Amino acid targets of drug | 97 ASP 107 ALA 108 ASP | ||||
No. of residues in known binding | 18 | ||||
Human similar targets | 3 | ||||
Darunavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 5 | 1 | Superposition type | L | |
RMSD | 0.54 Å | ||||
Amino acid targets of drug | 106 ASP 70 GLY 71 ALA | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 7 | ||||
2 | Superposition type | R | |||
RMSD | 0.95 Å | ||||
Amino acid targets of drug | 78 ARG 107 PRO 108 VAL | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 6 | ||||
3 | Superposition type | R | |||
RMSD | 0.93 Å | ||||
Amino acid targets of drug | 26 ALA 22 ASP 21 VAL | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 6 | ||||
4 | Superposition type | R | |||
RMSD | 0.87 Å | ||||
Amino acid targets of drug | 121 ALA 290 ILE 288 VAL | ||||
No. of residues in known binding | 19 | ||||
Human similar targets | 13 | ||||
5 | Superposition type | L | |||
RMSD | 1.00 Å | ||||
Amino acid targets of drug | 85 LEU 96 VAL 67 VAL | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 6 | ||||
Grazoprevir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 2 | 1 | Superposition type | R | |
RMSD | 1.02 Å | ||||
Amino acid targets of drug | 55 ILE 95 LYS 94 GLY | ||||
No. of residues in known binding | 16 | ||||
Human similar targets | 8 | ||||
2 | Superposition type | R | |||
RMSD | 1.09 Å | ||||
Amino acid targets of drug | 119 HIS 294 VAL 293 ASP | ||||
No. of residues in known binding | 17 | ||||
Human similar targets | 8 | ||||
Indinavir | Known similar target molecule | Polyprotein, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.94 Å | ||||
Amino acid targets of drug | 78 ARG 107 PRO 108 VAL | ||||
No. of residues in known binding | 24 | ||||
Human similar targets | 2 | ||||
Lopinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.84 Å | ||||
Amino acid targets of drug | 78 ARG 107 PRO 108 VAL | ||||
No. of residues in known binding | 23 | ||||
Human similar targets | 6 | ||||
Nelfinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.50 Å | ||||
Amino acid targets of drug | 106 ASP 70 GLY 71 ALA | ||||
No. of residues in known binding | 30 | ||||
Human similar targets | 8 | ||||
Rimantadine | Known similar target molecule | M2 protein, Influeza A | |||
Binding properties | 2 | 1 | Superposition type | R | |
RMSD | 0.86 Å | ||||
Amino acid targets of drug | 197 VAL 199 ALA 200 SER | ||||
No. of residues in known binding | 10 | ||||
Human similar targets | 0 | ||||
2 | Superposition type | L | |||
RMSD | 0.93 Å | ||||
Amino acid targets of drug | 32 ALA 33 SER 34 GLY | ||||
No. of residues in known binding | 9 | ||||
Human similar targets | 0 | ||||
Ritonavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 2 | 1 | Superposition type | L | |
RMSD | 0.77 Å | ||||
Amino acid targets of drug | 97 ASP 107 ALA 108 ASP | ||||
No. of residues in known binding | 18 | ||||
Human similar targets | 4 | ||||
2 | Superposition type | L | |||
RMSD | 0.98 Å | ||||
Amino acid targets of drug | 78 ARG 107 PRO 108 VAL | ||||
No. of residues in known binding | 23 | ||||
Human similar targets | 4 | ||||
Saquinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 4 | 1 | Superposition type | L | |
RMSD | 1.02 Å | ||||
Amino acid targets of drug | 157 ILE 208 GLY 207 ILE | ||||
No. of residues in known binding | 29 | ||||
Human similar targets | 7 | ||||
2 | Superposition type | R | |||
RMSD | 1.01 Å | ||||
Amino acid targets of drug | 257 THR 62 PRO 61 VAL | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 4 | ||||
3 | Superposition type | L | |||
RMSD | 0.80 Å | ||||
Amino acid targets of drug | 78 ARG 107 PRO 108 VAL | ||||
No. of residues in known binding | 31 | ||||
Human similar targets | 8 | ||||
4 | Superposition type | L | |||
RMSD | 0.52 Å | ||||
Amino acid targets of drug | 106 ASP 70 GLY 71 ALA | ||||
No. of residues in known binding | 31 | ||||
Human similar targets | 7 | ||||
Tipranavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.53 Å | ||||
Amino acid targets of drug | 106 ASP 70 GLY 71 ALA | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 7 | ||||