Table 7 Nonbonding interactions of the top six selected compounds and the standard with alpha-amylase (3BAJ).
C. No | Type of interaction | Interacting AA residues | |
|---|---|---|---|
Bond category | Bond type | ||
C4 | H-bond | Conventional | ASP300 |
Hydrophobic bond | Alkyl | ALA106, VAL107,ILE51 | |
Pi-Alkyl | TRP58, TRP59, TYR62, HIS305 | ||
C5 | Hydrophobic bond | Alkyl | LEU165, VAL107, ILE51 |
Pi-Alkyl | TRP59, TYR62 | ||
C6 | Hydrophobic bond | Alkyl | LEU165, ILE51, VAL107 |
Pi-Alkyl | TRP59, TYR62 | ||
C7 | H-bond | Conventional | GLN63 |
Hydrophobic bond | Pi-Sigma | TRP59 | |
Alkyl | LEU165 | ||
Pi-Alkyl | TRP58, TRP59, TYR62, HIS305 | ||
C8 | H-bond | Conventional | GLN63 |
Hydrophobic bond | Pi-Sigma | TRP59 | |
Alkyl | LEU162, LEU165, ALA198, LYS200, ILE235 | ||
Pi-Alkyl | TRP59, HIS201 | ||
C9 | Hydrophobic bond | Alkyl | ALA198, LEU162, LEU165, ILE235 |
Pi-Alkyl | TRP58, TYR62, TYR151 | ||
D1-Acarbose | H-bond | Conventional | TYR151, LYS200, GLU233, HIS305, HIS201, THR163 |
Carbon H-Bond | GLN63 | ||
Hydrophobic bond | Pi-Alkyl | TRP58, TYR62 | |
