Binding information for 4i7j_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4i7j_ligand_frag_0.mol2 | 4i7j | 1 | -6.96 | c1ccccc1 | 6 |
Structure and binding mode of 4i7j_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 4i7j_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4i7j | ILE78 | -0.70 | 0.25 | -0.45 | 0.07 | -0.38 |
| 4i7j | LEU84 | -0.86 | -0.23 | -1.09 | 0.23 | -0.86 |
| 4i7j | VAL87 | -0.71 | 0.19 | -0.52 | -0.11 | -0.64 |
| 4i7j | TYR88 | -0.73 | -0.16 | -0.89 | 0.17 | -0.73 |
| 4i7j | ALA99 | -1.11 | -0.59 | -1.7 | 0.29 | -1.41 |
| 4i7j | VAL103 | -0.32 | -0.02 | -0.34 | -0.01 | -0.34 |
| 4i7j | LEU118 | -0.77 | -0.08 | -0.85 | 0.09 | -0.76 |
| 4i7j | LEU121 | -0.52 | 0.15 | -0.37 | 0.07 | -0.31 |
| 4i7j | PHE153 | -0.52 | -0.18 | -0.7 | 0.35 | -0.35 |
