Binding information for 4hy0_ligand_3_34.mol2(FDBF03174)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hy0_ligand_3_34.mol2 | 4hy0 | 0.894737 | -6.23 | C(=O)(NCC1CCC(F)(F)CC1)CC | 14 |
Structure and binding mode of 4hy0_ligand_3_34.mol2(FDBF03174)
Important binding residues for 4hy0_ligand_3_34.mol2(FDBF03174)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hy0 | LEU307 | -0.90 | 0.39 | -0.51 | -0.24 | -0.75 |
| 4hy0 | THR308 | -1.12 | -3.10 | -4.22 | 2.55 | -1.67 |
| 4hy0 | TRP310 | -1.39 | -0.27 | -1.66 | 0.41 | -1.25 |
| 4hy0 | TRP323 | -0.86 | -2.73 | -3.59 | 2.17 | -1.42 |
