Table 1 Possible binding sites of NSP1 against known anti-viral drugs

Amprenavir

Known similar target molecule

Protease, HIV-1

Binding properties

3

1

Superposition type

R

RMSD

0.91 Å

Amino acid targets of drug

85GLY

86 ILE

58 PRO

No. of residues in known binding

24

Human similar targets

4

2

Superposition type

L

RMSD

0.89 Å

Amino acid targets of drug

105 ILE

103 GLY

102 VAL

No. of residues in known binding

25

Human similar targets

4

3

Superposition type

L

RMSD

0.94 Å

Amino acid targets of drug

24 ASP

83 LEU

97 VAL

No. of residues in known binding

28

Human similar targets

13

Atazanavir

Known similar target molecule

Protease, HIV-1

Binding properties

1

1

Superposition type

R

RMSD

0.98 Å

Amino acid targets of drug

105 ILE

103 GLY

102 VAL

No. of residues in known binding

24

Human similar targets

5

Darunavir

Known similar target molecule

Pol polyprotein, HIV-2

Binding properties

10

1

Superposition type

L

RMSD

0.91 Å

Amino acid targets of drug

105 ILE

103 GLY

102 VAL

No. of residues in known binding

27

Human similar targets

6

2

Superposition type

L

RMSD

0.89 Å

Amino acid targets of drug

85 GLY

86 ILE

58 PRO

No. of residues in known binding

26

Human similar targets

0

3

Superposition type

R

RMSD

1.47 Å

Amino acid targets of drug

98 LEU

29 VAL

99 VAL

No. of residues in known binding

20

Human similar targets

6

4

Superposition type

L

RMSD

1.19 Å

Amino acid targets of drug

95 LEU

80 VAL

77 VAL

No. of residues in known binding

20

Human similar targets

6

5

Superposition type

L

RMSD

1.40 Å

Amino acid targets of drug

79 LEU

26 VAL

60 VAL

No. of residues in known binding

20

Human similar targets

6

6

Superposition type

L

RMSD

1.32 Å

Amino acid targets of drug

44 LEU

14 VAL

97 VAL

No. of residues in known binding

20

Human similar targets

6

7

Superposition type

L

RMSD

1.16 Å

Amino acid targets of drug

83 LEU

60 VAL

26 VAL

No. of residues in known binding

20

Human similar targets

6

8

Superposition type

L

RMSD

1.47 Å

Amino acid targets of drug

98 LEU

11 VAL

97 VAL

No. of residues in known binding

20

Human similar targets

6

9

Superposition type

L

RMSD

1.11 Å

Amino acid targets of drug

55 LEU

60 VAL

99 VAL

No. of residues in known binding

20

Human similar targets

6

10

Superposition type

L

RMSD

1.36 Å

Amino acid targets of drug

18 LEU

99 VAL

102 VAL

No. of residues in known binding

20

Human similar targets

6

Indinavir

Known similar target molecule

Protease retropepsin,

HIV-1

Binding properties

1

1

Superposition type

R

RMSD

0.86 Å

Amino acid targets of drug

47 VAL

96 GLY

62 ILE

No. of residues in known binding

21

Human similar targets

3

Nelfinavir

Known similar target molecule

Protease,

HIV-1

Binding properties

2

1

Superposition type

L

RMSD

1.16 Å

Amino acid targets of drug

110 ARG

95 LEU

75 VAL

No. of residues in known binding

30

Human similar targets

10

2

Superposition type

L

RMSD

1.49 Å

Amino acid targets of drug

20 ARG

55 LEU

14 VAL

No. of residues in known binding

30

Human similar targets

10

Rimantadine

Known similar target molecule

M2 protein,

Influenza A/B

Binding properties

1

1

Superposition type

R

RMSD

1.10 Å

Amino acid targets of drug

29 VAL

33 ALA

31 SER

No. of residues in known binding

10

Human similar targets

0

Saquinavir

Known similar target molecule

Protease, HIV-1

Binding properties

2

1

Superposition type

R

RMSD

1.31 Å

Amino acid targets of drug

60 VAL

100 PRO

99 VAL

97 VAL

No. of residues in known binding

22

Human similar targets

6

2

Superposition type

L

RMSD

0.92 Å

Amino acid targets of drug

105 ILE

103 GLY

102 VAL

No. of residues in known binding

31

Human similar targets

11

Tipranavir

Known similar target molecule

Protease, HIV-1

Binding properties

1

1

Superposition type

L

RMSD

0.87 Å

Amino acid targets of drug

105 ILE

103 GLY

102 VAL

No. of residues in known binding

27

Human similar targets

3