Binding information for 4bo9_ligand_frag_5.mol2(FDBF01001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bo9_ligand_frag_5.mol2 | 4bo9 | 1 | -5.82 | c1occc1 | 5 |
Structure and binding mode of 4bo9_ligand_frag_5.mol2(FDBF01001)
Important binding residues for 4bo9_ligand_frag_5.mol2(FDBF01001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bo9 | PHE107 | -0.58 | -0.25 | -0.83 | 0.33 | -0.51 |
| 4bo9 | VAL110 | -0.49 | 0.18 | -0.31 | -0.29 | -0.60 |
| 4bo9 | LEU114 | -0.54 | -0.09 | -0.63 | -0.04 | -0.66 |
| 4bo9 | VAL110 | -0.24 | 0.05 | -0.19 | -0.14 | -0.33 |
| 4bo9 | LEU114 | -0.63 | -0.19 | -0.82 | 0.03 | -0.79 |
