Binding information for 2fw3_ligand_3_238.mol2(FDBF01819)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fw3_ligand_3_238.mol2 | 2fw3 | 0.4 | -5.75 | CNC(=O)NCC | 7 |
Structure and binding mode of 2fw3_ligand_3_238.mol2(FDBF01819)
Important binding residues for 2fw3_ligand_3_238.mol2(FDBF01819)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fw3 | PRO133 | -0.79 | 0.38 | -0.41 | -0.24 | -0.65 |
| 2fw3 | LEU592 | -0.31 | 0.04 | -0.27 | -0.08 | -0.35 |
| 2fw3 | PHE602 | -0.42 | 0.15 | -0.27 | -0.05 | -0.31 |
