Binding information for 5a0e_ligand_3_687.mol2(FDBF00237)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5a0e_ligand_3_687.mol2 | 5a0e | 0.5 | -5.02 | C(=C)C[C@H](CO)C | 7 |
Structure and binding mode of 5a0e_ligand_3_687.mol2(FDBF00237)
Important binding residues for 5a0e_ligand_3_687.mol2(FDBF00237)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5a0e | ALA103 | -0.74 | 0.04 | -0.7 | 0.02 | -0.68 |
