Ligands | Binding score (Kcal/mol) | Protein interaction | Types of interaction | Bond distance Å |
---|---|---|---|---|
Umbelliferone | − 6.9 | ARG75 | Conventional Hydrogen bond | 2.45 |
GLY69 | 2.52 | |||
GLU67 | 2.87 | |||
LEU68 | 2.21 | |||
SER76 | Pi-Donor Hydrogen Bond | 2.88 | ||
ILE25 | Pi-Alkyl | 5.48 | ||
ARG75 | 5.32 | |||
LEU68 | 4.41 | |||
ALA77 | 4.91 | |||
ILE25 | 5.26 | |||
2,13-octadecadien-1-ol | − 5.7 | ALA77 | Conventional Hydrogen bond | 2.59 |
SER76 | 2.69 | |||
LEU68 | Alkyl | 5.27 | ||
ALA77 | 4.25 | |||
ILE44 | 4.14 | |||
LEU68 | 5.25 | |||
ARG116 | 5.10 | |||
ARG116 | 4.78 | |||
ARG116 | 4.88 | |||
ILE56 | 4.88 | |||
ILE44 | 4.34 | |||
ILE44 | 4.77 | |||
ILE44 | 4.47 | |||
LEU59 | 4.04 | |||
Ciprofloxacin | − 8.7 | GLU57 | Pi-Anion | 4.48 |
ILE44 | Pi-Sigma | 3.99 | ||
ALA77 | Carbon Hydrogen Bond | 2.52 | ||
LEU68 | Alkyl | 4.76 | ||
ALA77 | 5.14 | |||
ALA77 | 4.72 | |||
ILE56 | 4.42 | |||
ALA77 | 4.72 | |||
ARG116 | Pi-Alkyl | 4.84 | ||
LEU68 | 5.43 | |||
ILE44 | 4.16 | |||
THR120 | Conventional Hydrogen bond | 2.37 | ||
GLY66 | 2.37 |