Binding information for 3f6e_ligand_1_3.mol2(FDBF00110)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f6e_ligand_1_3.mol2 | 3f6e | 1 | -6.22 | Cc1scnc1C | 7 |
Structure and binding mode of 3f6e_ligand_1_3.mol2(FDBF00110)
Important binding residues for 3f6e_ligand_1_3.mol2(FDBF00110)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f6e | GLY25 | -0.36 | -0.48 | -0.84 | 0.35 | -0.49 |
