Ligand | Target protein (PDB ID) | Residue | Amino acid | Distance H-A | Distance D-A | Protein donor | Side chain |
---|---|---|---|---|---|---|---|
Moscatilin | APC10/DOC1 (IJHJ) | 127A | Asparagine | 1.45 | 2.43 | √ | × |
Resveratrol | 125A | Threonine | 3.05 | 4.01 | √ | √ | |
Mitomycin-C | 126A | Aspartic acid | 3.22 | 4.00 | √ | √ | |
Paclitaxel | 28A | Glutamine | 2.81 | 3.75 | √ | √ | |
Colchicine | 133A | Arginine | 3.19 | 3.95 | √ | × | |
Shikonin | 161A | Proline | 1.66 | 2.29 | × | × | |
Moscatilin | PKM2 (IZJH) | 499A | Arginine | 1.27 | 2.12 | √ | √ |
Resveratrol | 269A | Lysine | 1.15 | 2.14 | √ | √ | |
Mitomycin-C | 209A | Asparagine | 2.10 | 3.08 | √ | √ | |
Paclitaxel | 260A | Lysine | 2.89 | 3.26 | √ | √ | |
Colchicine | 105A | Arginine | 3.10 | 4.00 | √ | √ | |
Shikonin | 499A | Arginine | 2.07 | 2.70 | √ | √ |