Binding information for 4az6_ligand_1_3.mol2(FDBF05801)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4az6_ligand_1_3.mol2 | 4az6 | 0.935484 | -6.40 | O=C(O)Nc1ccccc1 | 10 |
Structure and binding mode of 4az6_ligand_1_3.mol2(FDBF05801)
Important binding residues for 4az6_ligand_1_3.mol2(FDBF05801)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4az6 | TRP443 | -2.09 | 1.41 | -0.68 | -0.18 | -0.86 |
| 4az6 | TRP481 | -0.87 | -17.22 | -18.09 | 17.67 | -0.42 |
| 4az6 | TYR482 | -0.66 | 14.26 | 13.6 | -14.07 | -0.47 |
