Table 3 Molecular interactions present in the selected complexes and the amino acids involved
Complex | Conv./pi-donor H-bond | Carbon-H-bond | Alkyl | Pi-Alkyl | Pi-pi | Pi-cation | Pi-sulfur/sigma | Halo-bond |
|---|---|---|---|---|---|---|---|---|
14 | LYS483 ASP594 SER536 | SER535 SER535 HIS539 ASP594 | ALA481 CYS532 | TRP531 TRP531 HIS539 HIS539 ALA481 CYS532 LEU514 LEU505 | TRP531 TRP531 | GLN530 GLY534 HIS539 | ||
21 | LYS483 ASP594 SER536 | ALA481 LEU514 CYS532 | TRP531 HIS539 ALA481 CYS532 LEU514 LEU505 | TRP531 | GLN530 | |||
26 | LYS483 ASP594 SER536 | HIS539 ASP594 | ALA481 LEU514 CYS532 | TRP531 HIS539 HIS539 ALA481 CYS532 LEU514 LEU505 | TRP531 | GLN530 | ||
30 | ASP594 CYS532 | GLY534 | ALA481 VAL471 LYS483 | PHE595 LYS483 LEU514 VAL471 ALA481 ILE463 LEU514 | TRP531 PHE583 TRP531 | LYS483 | LEU505 CYS532 | |
Vem. | CYS532 ASP594 GLN530 | GLY593 CYS532 THR529 | LEU505 ILE527 | VAL471 LYS483 ALA481 LEU514 CYS532 ALA481 CYS532 | TRP531 PHE583 | LYS483 | ALA481 |