Binding information for 4djo_ligand_frag_15.mol2(FDBF00971)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djo_ligand_frag_15.mol2 | 4djo | 1 | -5.34 | C(Cl)Cl | 3 |
Structure and binding mode of 4djo_ligand_frag_15.mol2(FDBF00971)
Important binding residues for 4djo_ligand_frag_15.mol2(FDBF00971)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4djo | ILE47 | -0.45 | 0.04 | -0.41 | -0.13 | -0.53 |
| 4djo | ARG8 | -0.46 | -0.18 | -0.64 | 0.10 | -0.53 |
