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. 2021 Jun 9;1243:130854. doi: 10.1016/j.molstruc.2021.130854

Table 7.

Intermolecular interactions of the best docked complex of SARS-CoV2 nsp1-POLA1 predicted by PISA analysis.

Sl.No Amino acids of nsp1 Amino acids of POLA1 Distance (Å) Interactions
1 Glu 2 [OE2] Lys 923 [HZ2] 1.63 Hydrogen bond
2 Lys47 [O] Lys 923 [HZ1] 1.82 Hydrogen bond
3 Glu 2 [OE1] Gln 927 [HE21] 1.81 Hydrogen bond
4 Met 1 [O] Gln 927 [HE22] 2.17 Hydrogen bond
5 Pro 115 [O] Gln 932 [HE21] 1.78 Hydrogen bond
6 Asp 33 [OD2] Lys 1020 [HZ1] 1.62 Hydrogen bond
7 Glu 41 [OE1] Ans 1030 [HD21] 1.78 Hydrogen bond
8 Glu 36 [O] Lys 1031 [HZ3] 1.80 Hydrogen bond
9 Met 1 [N] Gln 927 [OE1] 3.50 Hydrogen bond
10 Arg 29 [HH21] Glu 1016 [OE2] 2.11 Hydrogen bond
11 Arg 29 [HH11] Glu 1016 [OE2] 1.94 Hydrogen bond
12 Lys47 [HZ3] Glu 1037 [OE1] 1.63 Hydrogen bond
13 Lys47 [HZ1] Glu 1037 [OE2] 2.36 Hydrogen bond
14 Glu 2 [OE2] Lys 923 [NZ] 2.57 Salt bridge
15 Asp 33 [OD2] Lys 1020 [NZ] 2.64 Salt bridge
16 Glu 37 [OE1] Lys 1024 [NZ] 2.88 Salt bridge
17 Glu 37 [OE2] Lys 1024 [NZ] 2.91 Salt bridge
18 Arg 29 [NH2] Glu 1016 [OE2] 2.97 Salt bridge
19 Arg 29 [NH1] Glu 1016 [OE2] 2.85 Salt bridge
20 Lys47 [NZ] Glu 1037 [OE1] 2.67 Salt bridge
21 Lys47 [NZ] Glu 1037 [OE2] 2.70 Salt bridge