Binding information for 1lvc_ligand_frag_7.mol2(FDBF00994)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lvc_ligand_frag_7.mol2 | 1lvc | 0.785714 | -5.43 | C1OCC[C@@H]1OCO | 8 |
Structure and binding mode of 1lvc_ligand_frag_7.mol2(FDBF00994)
Important binding residues for 1lvc_ligand_frag_7.mol2(FDBF00994)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lvc | LEU348 | -0.41 | -0.07 | -0.48 | 0.16 | -0.32 |
| 1lvc | PHE586 | -2.05 | 0.48 | -1.57 | 0.09 | -1.48 |
