Binding information for 4jdf_ligand_1_0.mol2(FDBF01314)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jdf_ligand_1_0.mol2 | 4jdf | 0.3 | -6.01 | N/C=C/C | 4 |
Structure and binding mode of 4jdf_ligand_1_0.mol2(FDBF01314)
Important binding residues for 4jdf_ligand_1_0.mol2(FDBF01314)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jdf | TRP37 | -1.73 | -0.08 | -1.81 | 0.48 | -1.32 |
| 4jdf | GLU39 | -0.57 | -1.78 | -2.35 | 2.02 | -0.33 |
| 4jdf | TYR40 | -1.31 | -0.17 | -1.48 | 0.56 | -0.92 |
