Binding information for 4f6v_ligand_4_59.mol2(FDBF00197)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4f6v_ligand_4_59.mol2 | 4f6v | 0.911765 | -6.68 | Oc1cc(CCC)ccc1 | 10 |
Structure and binding mode of 4f6v_ligand_4_59.mol2(FDBF00197)
Important binding residues for 4f6v_ligand_4_59.mol2(FDBF00197)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4f6v | TYR41 | -0.47 | -0.44 | -0.91 | 0.49 | -0.42 |
| 4f6v | CYS44 | -1.72 | -1.10 | -2.82 | 0.91 | -1.90 |
| 4f6v | LEU107 | -0.69 | -0.37 | -1.06 | 0.56 | -0.50 |
| 4f6v | VAL137 | -0.38 | 0.33 | -0.05 | -0.45 | -0.50 |
