Binding information for 1pfu_ligand_2_5.mol2(FDBF00055)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pfu_ligand_2_5.mol2 | 1pfu | 1 | -5.79 | CCSC | 4 |
Structure and binding mode of 1pfu_ligand_2_5.mol2(FDBF00055)
Important binding residues for 1pfu_ligand_2_5.mol2(FDBF00055)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pfu | ALA12 | -0.73 | -0.86 | -1.59 | 0.24 | -1.35 |
| 1pfu | LEU13 | -1.66 | -1.01 | -2.67 | 1.44 | -1.23 |
| 1pfu | TRP253 | -0.97 | -0.31 | -1.28 | 0.85 | -0.43 |
| 1pfu | ALA256 | -0.76 | 0.25 | -0.51 | -0.18 | -0.69 |
| 1pfu | PRO257 | -0.76 | 0.01 | -0.75 | 0.16 | -0.58 |
| 1pfu | HIS301 | -0.62 | -0.53 | -1.15 | 0.74 | -0.41 |
