Binding information for 1cet_ligand_3_55.mol2(FDBF00393)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1cet_ligand_3_55.mol2 | 1cet | 1 | -4.73 | C(C)[NH+](C)CC | 6 |
Structure and binding mode of 1cet_ligand_3_55.mol2(FDBF00393)
Important binding residues for 1cet_ligand_3_55.mol2(FDBF00393)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1cet | ILE54 | -0.37 | 0.13 | -0.24 | -0.23 | -0.47 |
