Binding information for 5em5_ligand_1_5.mol2(FDBF00205)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5em5_ligand_1_5.mol2 | 5em5 | 1 | -6.81 | Cc1ccc(cc1)Cl | 8 |
Structure and binding mode of 5em5_ligand_1_5.mol2(FDBF00205)
Important binding residues for 5em5_ligand_1_5.mol2(FDBF00205)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5em5 | VAL726 | -0.54 | 0.12 | -0.42 | -0.12 | -0.54 |
| 5em5 | ILE744 | -0.57 | -0.36 | -0.93 | 0.21 | -0.72 |
| 5em5 | LYS745 | -1.50 | -0.61 | -2.11 | 0.63 | -1.47 |
| 5em5 | ILE789 | -0.37 | -0.07 | -0.44 | -0.00 | -0.45 |
