Table 7 Detailed binding interactions of compounds with the protein with distances in (Ã…)
Compounds | Hydrogen bonds | Hydrophobic bonds | Electrostatic bonds | Others | |||
|---|---|---|---|---|---|---|---|
π–π | π-Alkyl | Alkyl | π-Sigma | π-Anion | π-Sulfur | ||
13 | ASN 116 (3.35), ARG 127 (3.16) | PHE 103 (5.11) | TYR 112 (5.19), ARG 120 (3.77), ARG 484 (5.38) | – | THR 479 (3.35) | GLU 483 (4.03) | – |
31 | TYR 435 (3.37), | TYR 326 (5.30) | TYR 398 (5.31), TYR 398 (3.74) | LEU 171 (4.92) | LEU 171 (3.37), ILE 199 (3.58) | – | CYS 172 (5.45), PHE 343 (5.70) |
33 | SER 59 (3.47), TYR 60 (3.47), CYS 172 (3.67), CYS 397 (2.93), TYR 435 (3.07), CYS 172 (3.27), CYS 172 (3.26), GLY 434 (3.51), TYR 435 (3.12) | TRP 388 (5.12), GLY 57 (3.58), GLY 57 (4.03) | PHE 343 (5.44), TYR 398 (5.39) LYS 296 (4.94) CYS 397 (4.39) CYS 397 (4.34) | LEU 171 (5.41) | – | – | TYR 60 (4.98) |
Eldepryl (Reference) | GLN 206 (3.14) | – | TYR 398 (5.45), TYR 435 (4.21) | – | – | – | – |