Binding information for 3hy5_ligand_3_31.mol2(FDBF00081)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hy5_ligand_3_31.mol2 | 3hy5 | 1 | -6.74 | CC(C)CCC | 6 |
Structure and binding mode of 3hy5_ligand_3_31.mol2(FDBF00081)
Important binding residues for 3hy5_ligand_3_31.mol2(FDBF00081)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hy5 | ILE176 | -0.66 | -0.00 | -0.66 | -0.14 | -0.80 |
| 3hy5 | LEU215 | -0.54 | 0.02 | -0.52 | 0.14 | -0.39 |
| 3hy5 | MET223 | -0.78 | 0.01 | -0.77 | 0.11 | -0.66 |
