Binding information for 4lxd_ligand_frag_3.mol2(FDBF06806)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lxd_ligand_frag_3.mol2 | 4lxd | 0.610169 | -5.67 | C1=CCOCC1 | 6 |
Structure and binding mode of 4lxd_ligand_frag_3.mol2(FDBF06806)
Important binding residues for 4lxd_ligand_frag_3.mol2(FDBF06806)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lxd | MET112 | -0.36 | 0.14 | -0.22 | -0.11 | -0.33 |
| 4lxd | VAL130 | -0.67 | 0.20 | -0.47 | 0.05 | -0.42 |
| 4lxd | LEU134 | -1.59 | 0.05 | -1.54 | -0.16 | -1.70 |
