Table 6 Possible binding sites of NSP10 against known anti-viral drugs
Drugs | Total binding sites | (6ZCT) NSP10 of COVID-19 | |||
|---|---|---|---|---|---|
Atazanavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 2 | 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 | 1.01 Å | ||||
Amino acid targets of drug | 78 ARG 107 PRO 108 VAL | ||||
No. of residues in known binding | 23 | ||||
Human similar targets | 3 | ||||
Darunavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 3 | 1 | Superposition type | R | |
RMSD | 0.99 Å | ||||
Amino acid targets of drug | 78 ARG 107 PRO 108 VAL | ||||
No. of residues in known binding | 26 | ||||
Human similar targets | 7 | ||||
2 | Superposition type | L | |||
RMSD | 1.09 Å | ||||
Amino acid targets of drug | 78 ARG 37 PRO 38 ILE | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 6 | ||||
3 | Superposition type | L | |||
RMSD | 0.85 Å | ||||
Amino acid targets of drug | 26 ALA 22 ASP 21 VAL | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 8 | ||||
Grazoprevir | Known similar target molecule | NS3, NS4 Protease, Hepacivirus C | |||
Binding properties | 2 | 1 | Superposition type | L | |
RMSD | 0.76 Å | ||||
Amino acid targets of drug | 65 GLN 52 GLY 127 GLY | ||||
No. of residues in known binding | 17 | ||||
Human similar targets | 8 | ||||
2 | Superposition type | L | |||
RMSD | 0.88 Å | ||||
Amino acid targets of drug | 36 GLN 35 GLY 9 GLY | ||||
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 | ||||
Ritonavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 1.12 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 | 1 | 1 | Superposition type | L | |
RMSD | 0.91 Å | ||||
Amino acid targets of drug | 78 ARG 107 PRO 108 VAL | ||||
No. of residues in known binding | 31 | ||||
Human similar targets | 8 | ||||