Binding information for 4l7o_ligand_1_0.mol2(FDBF03217)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l7o_ligand_1_0.mol2 | 4l7o | 0.75 | -6.67 | c1c[nH]c[n+]1c1ccccc1 | 11 |
Structure and binding mode of 4l7o_ligand_1_0.mol2(FDBF03217)
Important binding residues for 4l7o_ligand_1_0.mol2(FDBF03217)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l7o | LEU287 | -2.65 | -1.03 | -3.68 | 0.74 | -2.94 |
| 4l7o | VAL288 | -0.87 | 0.09 | -0.78 | 0.03 | -0.74 |
| 4l7o | ALA290 | -0.32 | 0.12 | -0.2 | -0.29 | -0.48 |
| 4l7o | ARG400 | -2.17 | -2.59 | -4.76 | 2.07 | -2.68 |
| 4l7o | MET402 | -0.84 | -0.37 | -1.21 | 0.41 | -0.80 |
