Binding information for 4f3c_ligand_4_20.mol2(FDBF01022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4f3c_ligand_4_20.mol2 | 4f3c | 0.923077 | -6.07 | C(CCC)SC | 6 |
Structure and binding mode of 4f3c_ligand_4_20.mol2(FDBF01022)
Important binding residues for 4f3c_ligand_4_20.mol2(FDBF01022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4f3c | MET9 | -0.75 | -0.30 | -1.05 | 0.46 | -0.58 |
| 4f3c | ILE50 | -1.09 | -0.16 | -1.25 | -0.08 | -1.33 |
| 4f3c | PHE151 | -0.83 | 0.04 | -0.79 | 0.24 | -0.56 |
| 4f3c | PHE207 | -0.86 | -0.08 | -0.94 | 0.31 | -0.63 |
| 4f3c | VAL102 | -0.75 | 0.64 | -0.11 | -0.26 | -0.37 |
| 4f3c | PHE105 | -1.57 | -0.31 | -1.88 | 0.82 | -1.06 |
| 4f3c | PRO113 | -0.55 | -0.04 | -0.59 | 0.07 | -0.53 |
