Binding information for 1s19_ligand_2_5.mol2(FDBF07641)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1s19_ligand_2_5.mol2 | 1s19 | 0.7 | -6.35 | C1(CC1)[C@@H](C=C)O | 7 |
Structure and binding mode of 1s19_ligand_2_5.mol2(FDBF07641)
Important binding residues for 1s19_ligand_2_5.mol2(FDBF07641)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1s19 | LEU227 | -0.48 | -0.10 | -0.58 | 0.15 | -0.43 |
| 1s19 | LEU230 | -0.81 | -0.06 | -0.87 | 0.05 | -0.82 |
| 1s19 | ALA231 | -0.41 | 0.02 | -0.39 | -0.04 | -0.43 |
| 1s19 | VAL234 | -0.64 | 0.13 | -0.51 | -0.34 | -0.85 |
| 1s19 | ILE268 | -0.29 | -0.03 | -0.32 | -0.03 | -0.35 |
| 1s19 | HIS305 | -0.20 | -3.57 | -3.77 | 1.67 | -2.10 |
| 1s19 | HIS397 | 0.37 | -4.01 | -3.64 | 2.40 | -1.24 |
| 1s19 | LEU414 | -0.33 | 0.10 | -0.23 | -0.08 | -0.31 |
