Binding information for 4d2v_ligand_2_1.mol2(FDBF00886)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4d2v_ligand_2_1.mol2 | 4d2v | 0.777778 | -6.60 | COc1ccccc1C(=O)N | 11 |
Structure and binding mode of 4d2v_ligand_2_1.mol2(FDBF00886)
Important binding residues for 4d2v_ligand_2_1.mol2(FDBF00886)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4d2v | ILE17 | -1.35 | -0.49 | -1.84 | 0.55 | -1.30 |
| 4d2v | VAL25 | -1.39 | -0.10 | -1.49 | 0.09 | -1.40 |
| 4d2v | LEU27 | -0.60 | 0.04 | -0.56 | -0.02 | -0.58 |
| 4d2v | ALA38 | -0.87 | 0.06 | -0.81 | -0.06 | -0.87 |
| 4d2v | LEU86 | -0.33 | -0.50 | -0.83 | 0.32 | -0.51 |
| 4d2v | PRO90 | -0.65 | -0.03 | -0.68 | 0.00 | -0.69 |
