Table 3. Bonding interaction of Resveratrol, Protopine, Gibberellic acid, and Gibberellin A7 with TLH.
|
PubChem CID |
Compound Name |
Dock Score (kcal/mol) |
Type of interaction |
Interacting residues |
Bond length (Distance Å) |
Category |
|
445156 |
Resveratrol |
-7.4 |
Conventional Hydrogen Bond |
Asn129 Thr131 Ser223 |
2.77 2.84 2.93 |
Hydrophobic |
|
Pi-Alkyl |
Trp200 |
5.09 |
Hydrophobic |
|||
|
4970 |
Protopine |
-9.4 |
Conventional Hydrogen Bond |
Tyr227 |
2.85 |
Hydrogen bond |
|
Alkyl |
Met90 Lys88 |
4.79 4.23 |
Hydrophobic |
|||
|
Pi-Alkyl |
Trp200 |
4.69, 4.48 |
Hydrophobic |
|||
|
92782 |
Gibberellin A7 |
-8.0 |
Conventional Hydrogen Bond |
Asn199 |
2.80 |
Hydrogen Bond |
|
Alkyl |
Lys88 Val202 |
4.93, 5.22 5.21 |
Hydrophobic |
|||
|
Pi-Alkyl |
His130 |
5.05 |
Hydrophobic |
|||
|
6466 |
Gibberellic acid |
-7.4 |
Conventional Hydrogen bond |
Asn159 |
2.64 |
Hydrogen bond |
|
Carbon Hydrogen Bond |
Ser223 |
3.79 |
Hydrogen Bond |
|||
|
Alkyl |
Lys88 |
3.68, 4.44 |
Hydrophobic |
Resveratrol (control), Protopine (CID 4970), Gibberellic acid (CID 6466), and Gibberellin A7 (CID 92782) with Thermolabile hemolysin (TLH).