Binding information for 2fw3_ligand_4_573.mol2(FDBF01820)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fw3_ligand_4_573.mol2 | 2fw3 | 0.416667 | -5.95 | CCNC(=O)NCC | 8 |
Structure and binding mode of 2fw3_ligand_4_573.mol2(FDBF01820)
Important binding residues for 2fw3_ligand_4_573.mol2(FDBF01820)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fw3 | PRO133 | -0.81 | 0.39 | -0.42 | -0.24 | -0.66 |
| 2fw3 | LEU592 | -0.31 | 0.04 | -0.27 | -0.07 | -0.35 |
| 2fw3 | PHE602 | -0.50 | 0.16 | -0.34 | -0.05 | -0.39 |
