Binding information for 4lxd_ligand_1_5.mol2(FDBF06806)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lxd_ligand_1_5.mol2 | 4lxd | 0.590164 | -5.76 | CC1=CCCOC1 | 7 |
Structure and binding mode of 4lxd_ligand_1_5.mol2(FDBF06806)
Important binding residues for 4lxd_ligand_1_5.mol2(FDBF06806)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lxd | MET112 | -0.38 | 0.13 | -0.25 | -0.10 | -0.35 |
| 4lxd | VAL130 | -0.68 | 0.19 | -0.49 | 0.06 | -0.43 |
| 4lxd | LEU134 | -1.66 | 0.05 | -1.61 | -0.16 | -1.77 |
