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. 2021 Aug 4;28:18. doi: 10.1186/s40709-021-00149-2

Table 4.

Possible binding sites of NSP7-NSP8 against known anti-viral drugs

Drugs Total binding sites (7JLT) NSP7-NSP8 of COVID-19
Amprenavir Known similar target molecule Protease, HIV-1
Binding properties 2 1 Superposition type L
RMSD 1.09 Å
Amino acid targets of drug

184 LEU

130 VAL

132 ILE

No. of residues in known binding 18
Human similar targets 5
2 Superposition type R
RMSD 1.07 Å
Amino acid targets of drug

13 LEU

11 VAL

16 VAL

12 VAL

No. of residues in known binding 18
Human similar targets 5
Darunavir Known similar target molecule Protease, HIV-1
Binding properties 1 1 Superposition type R
RMSD 0.99 Å
Amino acid targets of drug

13 LEU

11 VAL

16 VAL

No. of residues in known binding 20
Human similar targets 6
Nelfinavir Known similar target molecule Protease, HIV-1
Binding properties 1 1 Superposition type R
RMSD 0.92 Å
Amino acid targets of drug

77 ASP

78 ASN

93 THR

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 L
RMSD 0.96 Å
Amino acid targets of drug

83 VAL

86 ALA

85 SER

No. of residues in known binding 10
Human similar targets 0
Saquinavir Known similar target molecule Protease, HIV-1
Binding properties 1 1 Superposition type R
RMSD 0.97 Å
Amino acid targets of drug

160 VAL

183 PRO

185 ILE

No. of residues in known binding 31
Human similar targets 5

Features of different drug binding motifs. HIV-1 Human Immunodeficiency virus 1, RMSD Root Mean Square Deviation, Å angstrom, ILE isoleucine, GLY glycine, VAL valine, LEU leucine, PRO proline, ASP aspartic acid