Binding information for 4xm8_ligand_2_27.mol2(FDBF01388)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xm8_ligand_2_27.mol2 | 4xm8 | 1 | -6.47 | O(C)Cc1ccccc1 | 9 |
Structure and binding mode of 4xm8_ligand_2_27.mol2(FDBF01388)
Important binding residues for 4xm8_ligand_2_27.mol2(FDBF01388)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4xm8 | LYS656 | -0.74 | -4.08 | -4.82 | 2.23 | -2.59 |
| 4xm8 | LEU668 | -0.47 | -0.19 | -0.66 | 0.10 | -0.55 |
