Binding information for 4pf3_ligand_1_2.mol2(FDBF07573)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4pf3_ligand_1_2.mol2 | 4pf3 | 0.571429 | -5.43 | C(O)C(F)F | 5 |
Structure and binding mode of 4pf3_ligand_1_2.mol2(FDBF07573)
Important binding residues for 4pf3_ligand_1_2.mol2(FDBF07573)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4pf3 | LEU769 | -0.56 | -0.54 | -1.1 | 0.45 | -0.65 |
| 4pf3 | LEU772 | -0.86 | 0.08 | -0.78 | 0.02 | -0.77 |
| 4pf3 | ALA773 | -0.37 | -0.17 | -0.54 | -0.12 | -0.67 |
| 4pf3 | GLN776 | 0.55 | -5.30 | -4.75 | 3.08 | -1.67 |
| 4pf3 | LEU810 | -0.54 | 0.04 | -0.5 | -0.24 | -0.73 |
| 4pf3 | LEU814 | -0.52 | -0.23 | -0.75 | 0.07 | -0.68 |
