Binding information for 5ael_ligand_1_2.mol2(FDBF01877)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ael_ligand_1_2.mol2 | 5ael | 1 | -5.50 | C(#C)C | 3 |
Structure and binding mode of 5ael_ligand_1_2.mol2(FDBF01877)
Important binding residues for 5ael_ligand_1_2.mol2(FDBF01877)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5ael | TYR99 | -1.21 | 0.28 | -0.93 | 0.08 | -0.85 |
| 5ael | ASP103 | -0.77 | 0.40 | -0.37 | -0.67 | -1.04 |
| 5ael | THR168 | -0.32 | 0.03 | -0.29 | -0.08 | -0.36 |
