Binding information for 4fnz_ligand_2_49.mol2(FDBF00182)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fnz_ligand_2_49.mol2 | 4fnz | 1 | -7.03 | C(=O)NCc1ccccc1 | 10 |
Structure and binding mode of 4fnz_ligand_2_49.mol2(FDBF00182)
Important binding residues for 4fnz_ligand_2_49.mol2(FDBF00182)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fnz | LYS1150 | -0.35 | -9.89 | -10.24 | 7.76 | -2.47 |
| 4fnz | ILE1171 | -1.61 | -0.31 | -1.92 | 0.07 | -1.85 |
| 4fnz | ILE1179 | -0.40 | 0.14 | -0.26 | -0.27 | -0.53 |
| 4fnz | LEU1196 | -1.00 | 0.17 | -0.83 | -0.18 | -1.00 |
| 4fnz | ILE1268 | -0.39 | 0.01 | -0.38 | -0.02 | -0.41 |
| 4fnz | GLY1269 | 1.01 | -4.00 | -2.99 | 2.62 | -0.37 |
| 4fnz | ASP1270 | -1.94 | -0.05 | -1.99 | 1.61 | -0.38 |
| 4fnz | PHE1271 | -1.47 | -0.51 | -1.98 | 0.79 | -1.19 |
