Binding information for 2fwz_ligand_2_0.mol2(FDBF00588)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fwz_ligand_2_0.mol2 | 2fwz | 1 | -5.47 | CC[NH2+]C(C)C | 6 |
Structure and binding mode of 2fwz_ligand_2_0.mol2(FDBF00588)
Important binding residues for 2fwz_ligand_2_0.mol2(FDBF00588)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fwz | ASP54 | -0.39 | -22.31 | -22.7 | 22.37 | -0.33 |
| 2fwz | ALA55 | -0.38 | 0.23 | -0.15 | -0.26 | -0.41 |
| 2fwz | ILE96 | -0.35 | 1.23 | 0.88 | -1.18 | -0.31 |
| 2fwz | LEU107 | -0.54 | 0.07 | -0.47 | -0.15 | -0.62 |
