Binding information for 4fm7_ligand_2_1.mol2(FDBF00196)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fm7_ligand_2_1.mol2 | 4fm7 | 1 | -6.42 | Cc1ccc(c(c1)O)O | 9 |
Structure and binding mode of 4fm7_ligand_2_1.mol2(FDBF00196)
Important binding residues for 4fm7_ligand_2_1.mol2(FDBF00196)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fm7 | LEU30 | -1.00 | -0.27 | -1.27 | 0.35 | -0.91 |
| 4fm7 | ILE110 | -0.37 | 0.04 | -0.33 | -0.05 | -0.37 |
| 4fm7 | TRP115 | -0.99 | 0.69 | -0.3 | -0.28 | -0.57 |
| 4fm7 | ILE118 | -0.57 | 0.04 | -0.53 | -0.08 | -0.61 |
