Binding information for 1sr7_ligand_1_2.mol2(FDBF00968)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sr7_ligand_1_2.mol2 | 1sr7 | 0.583333 | -5.38 | C(=O)CCl | 4 |
Structure and binding mode of 1sr7_ligand_1_2.mol2(FDBF00968)
Important binding residues for 1sr7_ligand_1_2.mol2(FDBF00968)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sr7 | LEU715 | -0.82 | -0.45 | -1.27 | 0.44 | -0.82 |
| 1sr7 | TYR890 | -0.71 | -0.16 | -0.87 | -0.17 | -1.04 |
| 1sr7 | CYS891 | -0.42 | -0.40 | -0.82 | 0.04 | -0.79 |
| 1sr7 | PHE905 | -0.55 | -0.12 | -0.67 | 0.18 | -0.49 |
