Binding information for 3hky_ligand_2_5.mol2(FDBF00620)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hky_ligand_2_5.mol2 | 3hky | 0.777778 | -5.85 | OCC(=C)C | 5 |
Structure and binding mode of 3hky_ligand_2_5.mol2(FDBF00620)
Important binding residues for 3hky_ligand_2_5.mol2(FDBF00620)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hky | PRO197 | -0.73 | 0.14 | -0.59 | -0.03 | -0.62 |
| 3hky | ARG200 | -1.26 | -1.07 | -2.33 | 1.09 | -1.24 |
| 3hky | SER368 | -0.56 | 0.19 | -0.37 | 0.04 | -0.33 |
| 3hky | LEU384 | -0.84 | 0.07 | -0.77 | 0.03 | -0.74 |
| 3hky | MET414 | -0.83 | -0.36 | -1.19 | 0.55 | -0.64 |
| 3hky | TYR415 | -0.81 | 0.19 | -0.62 | 0.19 | -0.44 |
