Binding information for 3hkw_ligand_2_5.mol2(FDBF00620)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hkw_ligand_2_5.mol2 | 3hkw | 0.777778 | -5.88 | OCC(=C)C | 5 |
Structure and binding mode of 3hkw_ligand_2_5.mol2(FDBF00620)
Important binding residues for 3hkw_ligand_2_5.mol2(FDBF00620)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hkw | PRO197 | -0.74 | 0.09 | -0.65 | 0.02 | -0.63 |
| 3hkw | ARG200 | -1.36 | -0.09 | -1.45 | 0.30 | -1.15 |
| 3hkw | LEU384 | -0.95 | 0.07 | -0.88 | -0.01 | -0.88 |
| 3hkw | MET414 | -0.95 | -0.47 | -1.42 | 0.68 | -0.73 |
| 3hkw | PHE415 | -0.69 | -0.02 | -0.71 | 0.26 | -0.46 |
