Binding information for 4lnb_ligand_2_0.mol2(FDBF00704)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lnb_ligand_2_0.mol2 | 4lnb | 0.615385 | -6.44 | O=C(OC(C)(C)C)N1CCC(CC1)C | 14 |
Structure and binding mode of 4lnb_ligand_2_0.mol2(FDBF00704)
Important binding residues for 4lnb_ligand_2_0.mol2(FDBF00704)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lnb | PHE166 | -0.78 | -0.16 | -0.94 | 0.39 | -0.55 |
| 4lnb | LEU169 | -1.07 | -0.10 | -1.17 | -0.03 | -1.20 |
| 4lnb | TYR454 | -1.33 | -0.09 | -1.42 | -0.13 | -1.55 |
