Table 5.
Name of the compound | Hydrogen bonds < 3 Å | van der Waals interactions | π-π | ||
---|---|---|---|---|---|
Residue atom | Ligand atom | Bond length | |||
Reference | Cys919:HN Asp1046:NH Asp1046: O |
N7 O26 H62 |
2.2 2.0 2.0 |
Val848, Lys868, Glu885, Ile892, asn900, Leu901, Lys920, Phe921, Gly922, Asn923, Leu1019, leu1044, His1026 Phe1047 | Leu840, Ala866, Ala866, Val898, Leu889, Leu1035 |
Hit | Glu885:OE2 Cys919: O Asp1046:HN |
H36 H35 N5 |
1.88 2.9 2.3 |
Ala866, Glu850, Ile888, Ile892, Val898, Val914, Lys920, Asn923, Gly922, Leu1019, His1026, Ile1044, Phe1047 | Leu840, Val848, Leu889, Lys868, Phe918, Leu1035 |