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. 2020 Aug 23;318:114082. doi: 10.1016/j.molliq.2020.114082

Table 6.

Unfavorable non-bond between melatonin and coronavirus2 proteins.

PDB IDs Distance (Å) Category Type From From chemistry To To chemistry
6LU7 Nil
6M03 2.41199 Unfavorable Unfavorable bump A:CYS145:SG Steric :UNK0:C Steric
1.99847 Unfavorable Unfavorable bump A:GLU166:O Steric :UNK0:C Steric
1.63812 Unfavorable Unfavorable bump; carbon hydrogen bond :UNK0:H Steric; H-donor A:GLU166:O Steric; H-acceptor
6W63 2.13058 Unfavorable Unfavorable bump A:GLN189:CA Steric :UNK0:C Steric
1.22635 Unfavorable Unfavorable bump A:GLN189:CA Steric :UNK0:H Steric
2.37385 Unfavorable Unfavorable bump A:GLN189:CB Steric :UNK0:C Steric
1.77146 Unfavorable Unfavorable bump A:GLN189:CG Steric :UNK0:C Steric
0.87813 Unfavorable Unfavorable bump A:GLN189:CG Steric :UNK0:H Steric
2.2544 Unfavorable Unfavorable bump A:GLN189:CG Steric :UNK0:N Steric
1.84974 Unfavorable Unfavorable bump A:GLN189:CG Steric :UNK0:H Steric
1.96838 Unfavorable Unfavorable bump A:GLN189:CD Steric :UNK0:C Steric
1.11711 Unfavorable Unfavorable bump A:GLN189:CD Steric :UNK0:C Steric
0.42714 Unfavorable Unfavorable bump A:GLN189:CD Steric :UNK0:H Steric
1.76113 Unfavorable Unfavorable bump A:GLN189:CD Steric :UNK0:H Steric
1.81942 Unfavorable Unfavorable bump A:GLN189:OE1 Steric :UNK0:C Steric
0.89379 Unfavorable Unfavorable bump A:GLN189:OE1 Steric :UNK0:H Steric
2.09198 Unfavorable Unfavorable bump A:GLN189:NE2 Steric :UNK0:N Steric
1.10771 Unfavorable Unfavorable bump A:GLN189:NE2 Steric :UNK0:C Steric
2.13841 Unfavorable Unfavorable bump A:GLN189:NE2 Steric :UNK0:O Steric
0.54957 Unfavorable Unfavorable bump A:GLN189:NE2 Steric :UNK0:C Steric
1.46472 Unfavorable Unfavorable bump A:GLN189:NE2 Steric :UNK0:H Steric
1.1745 Unfavorable Unfavorable bump A:GLN189:NE2 Steric :UNK0:H Steric
1.45993 Unfavorable Unfavorable bump A:GLN189:NE2 Steric :UNK0:H Steric
1.25941 Unfavorable Unfavorable bump A:GLN189:HA Steric :UNK0:C Steric
0.61273 Unfavorable Unfavorable bump A:GLN189:HA Steric :UNK0:H Steric
1.52091 Unfavorable Unfavorable bump A:GLN189:HA Steric :UNK0:H Steric
1.40921 Unfavorable Unfavorable bump A:GLN189:HG1 Steric :UNK0:H Steric
0.92704 Unfavorable Unfavorable bump A:GLN189:HG2 Steric :UNK0:C Steric
0.19936 Unfavorable Unfavorable bump A:GLN189:HG2 Steric :UNK0:H Steric
1.69586 Unfavorable Unfavorable bump A:GLN189:HE21 Steric :UNK0:N Steric
1.11219 Unfavorable Unfavorable bump A:GLN189:HE21 Steric :UNK0:C Steric
1.37181 Unfavorable Unfavorable bump A:GLN189:HE21 Steric :UNK0:C Steric
1.39001 Unfavorable Unfavorable bump A:GLN189:HE21 Steric :UNK0:H Steric
1.45408 Unfavorable Unfavorable bump A:GLN189:HE22 Steric :UNK0:C Steric
0.8524 Unfavorable Unfavorable bump A:GLN189:HE22 Steric :UNK0:C Steric
0.83783 Unfavorable Unfavorable bump A:GLN189:HE22 Steric :UNK0:H Steric