Binding information for 4hy5_ligand_3_34.mol2(FDBF03174)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hy5_ligand_3_34.mol2 | 4hy5 | 0.894737 | -6.34 | C(C1CCC(F)(F)CC1)NC(=O)CC | 14 |
Structure and binding mode of 4hy5_ligand_3_34.mol2(FDBF03174)
Important binding residues for 4hy5_ligand_3_34.mol2(FDBF03174)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hy5 | LEU307 | -0.95 | 0.53 | -0.42 | -0.35 | -0.78 |
| 4hy5 | ARG308 | -1.56 | -0.99 | -2.55 | 0.85 | -1.69 |
| 4hy5 | CYS309 | -1.50 | -1.38 | -2.88 | 2.22 | -0.66 |
| 4hy5 | TRP310 | -1.31 | -0.23 | -1.54 | 0.49 | -1.06 |
| 4hy5 | TRP323 | -0.80 | -1.57 | -2.37 | 1.43 | -0.95 |
