Binding information for 3hy5_ligand_2_18.mol2(FDBF00074)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hy5_ligand_2_18.mol2 | 3hy5 | 1 | -6.49 | CC(C)C=C | 5 |
Structure and binding mode of 3hy5_ligand_2_18.mol2(FDBF00074)
Important binding residues for 3hy5_ligand_2_18.mol2(FDBF00074)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hy5 | PHE173 | -0.73 | -0.17 | -0.9 | 0.50 | -0.39 |
| 3hy5 | ILE176 | -0.63 | 0.04 | -0.59 | -0.12 | -0.71 |
| 3hy5 | MET223 | -0.59 | 0.00 | -0.59 | 0.08 | -0.51 |
