Binding information for 1eve_ligand_1_4.mol2(FDBF00663)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1eve_ligand_1_4.mol2 | 1eve | 1 | -6.25 | C[NH+]1CCCCC1 | 7 |
Structure and binding mode of 1eve_ligand_1_4.mol2(FDBF00663)
Important binding residues for 1eve_ligand_1_4.mol2(FDBF00663)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1eve | TRP84 | -1.07 | -1.05 | -2.12 | 0.81 | -1.32 |
| 1eve | PHE330 | -2.58 | -1.64 | -4.22 | 1.65 | -2.57 |
| 1eve | PHE331 | -0.97 | -0.70 | -1.67 | 0.70 | -0.98 |
| 1eve | TYR334 | -1.23 | -0.27 | -1.5 | 0.58 | -0.92 |
