Table 1.
S. No | Protein-ligand complex | Binding energy (kcal/Mol) | Inhibition constant (Ki) | H-Bond atom distance | H-Bond Atom | Active site residues |
---|---|---|---|---|---|---|
1 | LARP1 + MET | −3.99 | 1.19 mM | 2.12895 | :MOL0:H17- A:GLU875:OE1 | Gly869,Tyr870,Arg871,Tyr872,Glu875 |
2 | FKPB7 + MET | −5.41 | 104.89 µM |
1.95899 2.1723 1.96238 |
:MOL0:H17 - A:GLU127:OE1 :MOL0:H18 - A:SER124:OG :MOL0:H19 - A:GLU123:OE2 |
Ser121,Glu123, Ser124,Glu127 |