Binding information for 4fnz_ligand_3_161.mol2(FDBF00946)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fnz_ligand_3_161.mol2 | 4fnz | 0.853659 | -7.00 | C(=O)NCc1cc(O)ccc1 | 11 |
Structure and binding mode of 4fnz_ligand_3_161.mol2(FDBF00946)
Important binding residues for 4fnz_ligand_3_161.mol2(FDBF00946)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fnz | LYS1150 | -0.35 | -9.20 | -9.55 | 7.12 | -2.43 |
| 4fnz | ILE1171 | -1.75 | -0.20 | -1.95 | -0.03 | -1.97 |
| 4fnz | ILE1179 | -0.48 | 0.01 | -0.47 | -0.11 | -0.58 |
| 4fnz | LEU1196 | -1.00 | 0.22 | -0.78 | -0.20 | -0.99 |
| 4fnz | ILE1268 | -0.47 | 0.01 | -0.46 | -0.14 | -0.59 |
| 4fnz | GLY1269 | 0.98 | -4.15 | -3.17 | 2.72 | -0.45 |
| 4fnz | ASP1270 | -2.02 | -0.40 | -2.42 | 1.92 | -0.49 |
| 4fnz | PHE1271 | -1.78 | -1.45 | -3.23 | 1.51 | -1.72 |
