Binding information for 4lnb_ligand_1_0.mol2(FDBF00704)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lnb_ligand_1_0.mol2 | 4lnb | 0.6 | -6.30 | O=C(OC(C)(C)C)N1CCCCC1 | 13 |
Structure and binding mode of 4lnb_ligand_1_0.mol2(FDBF00704)
Important binding residues for 4lnb_ligand_1_0.mol2(FDBF00704)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lnb | PHE166 | -0.78 | -0.16 | -0.94 | 0.38 | -0.55 |
| 4lnb | LEU169 | -1.05 | -0.08 | -1.13 | -0.04 | -1.18 |
| 4lnb | TYR454 | -1.19 | -0.14 | -1.33 | -0.11 | -1.44 |
