Binding information for 4wpf_ligand_frag_4.mol2(FDBF01324)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wpf_ligand_frag_4.mol2 | 4wpf | 1 | -6.05 | C1CCC1 | 4 |
Structure and binding mode of 4wpf_ligand_frag_4.mol2(FDBF01324)
Important binding residues for 4wpf_ligand_frag_4.mol2(FDBF01324)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wpf | PHE388 | -0.88 | -0.07 | -0.95 | 0.48 | -0.46 |
| 4wpf | ILE400 | -0.78 | 0.09 | -0.69 | 0.01 | -0.68 |
