Binding information for 5a0e_ligand_1_7.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5a0e_ligand_1_7.mol2 | 5a0e | 1 | -5.01 | C(=C)C | 3 |
Structure and binding mode of 5a0e_ligand_1_7.mol2(FDBF00022)
Important binding residues for 5a0e_ligand_1_7.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5a0e | ALA103 | -0.38 | -0.08 | -0.46 | 0.05 | -0.41 |
