Binding information for 4l8m_ligand_3_0.mol2(FDBF04171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l8m_ligand_3_0.mol2 | 4l8m | 1 | -5.06 | C(C[NH+]1CCOCC1)O | 9 |
Structure and binding mode of 4l8m_ligand_3_0.mol2(FDBF04171)
Important binding residues for 4l8m_ligand_3_0.mol2(FDBF04171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l8m | VAL30 | -1.17 | -0.14 | -1.31 | 0.16 | -1.15 |
| 4l8m | ALA40 | -0.44 | 1.03 | 0.59 | -0.95 | -0.37 |
| 4l8m | LEU108 | -0.44 | 1.10 | 0.66 | -1.01 | -0.35 |
| 4l8m | ALA111 | -0.24 | -0.47 | -0.71 | 0.37 | -0.34 |
