Binding information for 4l8m_ligand_frag_2.mol2(FDBF00378)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l8m_ligand_frag_2.mol2 | 4l8m | 1 | -6.77 | Fc1ccccc1 | 7 |
Structure and binding mode of 4l8m_ligand_frag_2.mol2(FDBF00378)
Important binding residues for 4l8m_ligand_frag_2.mol2(FDBF00378)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l8m | VAL38 | -0.51 | 0.08 | -0.43 | -0.14 | -0.57 |
| 4l8m | LYS53 | -1.53 | -1.14 | -2.67 | 0.86 | -1.80 |
| 4l8m | ILE84 | -0.70 | -0.05 | -0.75 | -0.07 | -0.82 |
| 4l8m | LEU104 | -0.74 | -0.46 | -1.2 | 0.26 | -0.94 |
| 4l8m | LEU167 | -0.57 | 0.22 | -0.35 | -0.10 | -0.46 |
