Binding information for 5alr_ligand_1_3.mol2(FDBF06936)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5alr_ligand_1_3.mol2 | 5alr | 0.454545 | -5.63 | C(F)(F)(F)S | 5 |
Structure and binding mode of 5alr_ligand_1_3.mol2(FDBF06936)
Important binding residues for 5alr_ligand_1_3.mol2(FDBF06936)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5alr | TYR383 | -0.46 | 0.05 | -0.41 | 0.07 | -0.33 |
| 5alr | PHE387 | -0.40 | -0.01 | -0.41 | 0.07 | -0.33 |
| 5alr | LEU408 | -0.41 | 0.08 | -0.33 | -0.10 | -0.43 |
