Binding information for 1x78_ligand_frag_1.mol2(FDBF00569)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1x78_ligand_frag_1.mol2 | 1x78 | 1 | -5.41 | CC#N | 3 |
Structure and binding mode of 1x78_ligand_frag_1.mol2(FDBF00569)
Important binding residues for 1x78_ligand_frag_1.mol2(FDBF00569)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1x78 | PHE356 | -0.35 | -0.34 | -0.69 | 0.31 | -0.38 |
| 1x78 | ILE373 | -0.60 | 0.25 | -0.35 | -0.24 | -0.60 |
| 1x78 | ILE376 | -0.79 | 0.10 | -0.69 | -0.12 | -0.82 |
| 1x78 | LEU380 | -0.40 | -0.16 | -0.56 | 0.17 | -0.39 |
