Binding information for 3f6e_ligand_1_1.mol2(FDBF00620)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f6e_ligand_1_1.mol2 | 3f6e | 0.75 | -5.60 | C=CCO | 4 |
Structure and binding mode of 3f6e_ligand_1_1.mol2(FDBF00620)
Important binding residues for 3f6e_ligand_1_1.mol2(FDBF00620)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f6e | GLY25 | -0.36 | -0.98 | -1.34 | 0.15 | -1.19 |
| 3f6e | SER26 | -0.63 | -1.74 | -2.37 | 1.16 | -1.21 |
| 3f6e | LEU110 | -0.60 | -0.08 | -0.68 | 0.09 | -0.59 |
