Binding information for 3fuc_ligand_4_10.mol2(FDBF03175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fuc_ligand_4_10.mol2 | 3fuc | 0.785714 | -6.05 | CCCCC(F)F | 7 |
Structure and binding mode of 3fuc_ligand_4_10.mol2(FDBF03175)
Important binding residues for 3fuc_ligand_4_10.mol2(FDBF03175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fuc | ALA117 | -0.35 | -0.05 | -0.4 | 0.08 | -0.32 |
| 3fuc | MET219 | -1.29 | 0.24 | -1.05 | 0.02 | -1.03 |
| 3fuc | SER220 | -0.33 | -0.17 | -0.5 | 0.19 | -0.31 |
| 3fuc | VAL260 | -0.29 | -0.00 | -0.29 | -0.08 | -0.37 |
| 3fuc | PHE159 | -0.75 | -0.18 | -0.93 | 0.46 | -0.46 |
