Table 4 Additional resilient ligand-PKM2 interactions that differed from Moscatilin
Ligand | Target protein (PDB ID) | Mode of interaction | Residue | Amino acid | Group involved | Interacting ligand atom positions |
|---|---|---|---|---|---|---|
Colchicine | PKM2 (IZJH) | Water bridge | 42A | Arginine | Protein donor involved | 4017 |
69A | Asparagine | 4016 | ||||
Paclitaxel | π-cation interaction | 260A | Lysine | Aromatic | 4006, 4007, 4034, 4035, 4041, 4043 | |
Shikonin | Water bridge | 69A | Asparagine | Protein donor involved | 3907 | |
Ï€-stacking | 469A | Phenylalanine | T-type | 4005,4006,4007, 4008, 4009, 4010, 4011, 4012, 4013, 4014 |