Binding information for 1pfy_ligand_2_13.mol2(FDBF00055)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pfy_ligand_2_13.mol2 | 1pfy | 1 | -5.88 | CCSC | 4 |
Structure and binding mode of 1pfy_ligand_2_13.mol2(FDBF00055)
Important binding residues for 1pfy_ligand_2_13.mol2(FDBF00055)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pfy | ALA12 | -0.73 | -0.85 | -1.58 | 0.14 | -1.44 |
| 1pfy | LEU13 | -1.74 | -1.03 | -2.77 | 1.54 | -1.23 |
| 1pfy | TRP253 | -1.04 | -0.28 | -1.32 | 0.80 | -0.51 |
| 1pfy | ALA256 | -0.78 | 0.17 | -0.61 | -0.15 | -0.75 |
| 1pfy | PRO257 | -0.71 | -0.03 | -0.74 | 0.20 | -0.54 |
| 1pfy | ILE297 | -0.60 | 0.06 | -0.54 | -0.04 | -0.58 |
| 1pfy | HIS301 | -0.65 | -0.61 | -1.26 | 0.85 | -0.41 |
