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

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