Table 4.
Different interactions rendered between the protein and the ligands.
| S. number | Name of the compound | Hydrogen bonds < 3 Å | π-bonds | Van der Waals interactions | |||
|---|---|---|---|---|---|---|---|
| Residue | atom | Ligand atom | Bond length | ||||
| (1) | Reference | Lys794 Arg791 |
HZ2 HH21 |
O21 O21 |
2.2 1.9 |
His748 Tyr751 Trp803 |
Leu795, Asp797, Lys853, Gly790, Tyr861, Gly750, Arg702, Tyr800 |
|
| |||||||
| (2) | Lonafarnib | Cys754 Tyr800 |
HG HH |
O5 N8 |
2.2 2.1 |
Arg702, Asp797, Leu795, Trp 803 |
Trp602, Tyr654, Tyr705, Cys706, His748, Gly750, Phe753, Arg791, Lys794, Val796, Asp852, Lys853 |
|
| |||||||
| (3) | Hit 1 | Arg791 Arg791 Lys794 |
HE HH21 HZ2 |
O24 O24 O24 |
2.4 2.0 2.0 |
Arg702, Tyr751, Cys754, Tyr800 His862 |
Trp602, Ala651, Tyr705, Cys706, Tyr 705, His748, Gly790, Leu795, Asp797, Cys799, Asp852, Lys856, Tyr861 |
|
| |||||||
| (4) | Hit 2 | Lys794 Arg791 Arg791 |
HZ2 HH21 HE |
O10 O10 O10 |
2.6 1.8 1.9 |
Tyr800 | Trp606, Tyr751, Gly750, Cys754, Leu795, Val796, Asp797, Trp803, Asp852, Lys853, Trp803, Tyr861, Tyr865 |