Binding information for 2f9v_ligand_2_0.mol2(FDBF00808)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f9v_ligand_2_0.mol2 | 2f9v | 1 | -5.35 | C(OC(=O)N)C(C)C | 8 |
Structure and binding mode of 2f9v_ligand_2_0.mol2(FDBF00808)
Important binding residues for 2f9v_ligand_2_0.mol2(FDBF00808)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2f9v | ARG123 | -0.34 | 0.65 | 0.31 | -0.63 | -0.33 |
| 2f9v | ALA156 | -0.87 | 0.05 | -0.82 | 0.10 | -0.72 |
| 2f9v | ALA157 | -1.02 | -1.00 | -2.02 | 1.28 | -0.74 |
| 2f9v | VAL158 | -0.68 | 0.03 | -0.65 | -0.07 | -0.72 |
