Binding information for 1pfy_ligand_1_3.mol2(FDBF00054)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pfy_ligand_1_3.mol2 | 1pfy | 1 | -5.55 | CSC | 3 |
Structure and binding mode of 1pfy_ligand_1_3.mol2(FDBF00054)
Important binding residues for 1pfy_ligand_1_3.mol2(FDBF00054)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pfy | ALA12 | -0.57 | -0.80 | -1.37 | 0.23 | -1.14 |
| 1pfy | LEU13 | -1.49 | -0.93 | -2.42 | 1.15 | -1.27 |
| 1pfy | TRP253 | -0.87 | -0.37 | -1.24 | 0.73 | -0.51 |
| 1pfy | ALA256 | -0.75 | 0.18 | -0.57 | -0.12 | -0.69 |
| 1pfy | PRO257 | -0.70 | -0.03 | -0.73 | 0.18 | -0.55 |
| 1pfy | HIS301 | -0.60 | -0.53 | -1.13 | 0.80 | -0.32 |
