Ligand | Target protein (PDB ID) | Residue | Amino acid | Distance (Ã…) | Ligand atom | Protein atom |
---|---|---|---|---|---|---|
Moscatilin | APC10/DOC1 (IJHJ) | 98A | Valine | 2.69 | 1462 | 764 |
Resveratrol | 108A | Isoleucine | 2.90 | 1458 | 845 | |
Mitomycin-C | 126A | Aspartic acid | 3.24 | 1466 | 991 | |
Paclitaxel | 28A | Glutamine | 2.85 | 1473 | 196 | |
Colchicine | 126A | Aspartic acid | 2.73 | 1460 | 991 | |
Shikonin | 73A | Threonine | 3.34 | 1457 | 564 | |
Moscatilin | PKM2 (IZJH) | 42A | Arginine | 3.52 | 4010 | 147 |
Resveratrol | 117A | Glutamine | 3.63 | 4007 | 719 | |
Mitomycin-C | No hydrophobic interactions | |||||
Paclitaxel | 455A | Asparagine | 3.26 | 4050 | 3289 | |
Colchicine | 501A | Phenylalanine | 2.66 | 4019 | 3657 | |
Shikonin | 41A | Alanine | 2.87 | 4009 | 142 |