Binding information for 4azf_ligand_frag_4.mol2(FDBF07116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4azf_ligand_frag_4.mol2 | 4azf | 0.804348 | -6.72 | c1cc2c(cc1)OCO2 | 9 |
Structure and binding mode of 4azf_ligand_frag_4.mol2(FDBF07116)
Important binding residues for 4azf_ligand_frag_4.mol2(FDBF07116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4azf | ILE155 | -0.78 | 0.06 | -0.72 | -0.10 | -0.82 |
| 4azf | VAL163 | -0.55 | -0.03 | -0.58 | -0.15 | -0.73 |
| 4azf | ALA176 | -0.91 | -0.23 | -1.14 | 0.09 | -1.05 |
| 4azf | ILE212 | -0.52 | 0.17 | -0.35 | -0.03 | -0.38 |
| 4azf | PHE228 | -0.78 | 0.06 | -0.72 | -0.07 | -0.78 |
| 4azf | LEU230 | -1.06 | -0.70 | -1.76 | 0.28 | -1.48 |
| 4azf | LEU231 | -1.52 | -1.71 | -3.23 | 1.39 | -1.84 |
| 4azf | LEU282 | -1.14 | -0.90 | -2.04 | 1.00 | -1.03 |
| 4azf | ILE294 | -0.81 | 0.05 | -0.76 | -0.18 | -0.94 |
