Binding information for 4gj9_ligand_1_1.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gj9_ligand_1_1.mol2 | 4gj9 | 1 | -5.96 | CC(O)C | 4 |
Structure and binding mode of 4gj9_ligand_1_1.mol2(FDBF00042)
Important binding residues for 4gj9_ligand_1_1.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gj9 | THR216 | -0.47 | -2.03 | -2.5 | 1.80 | -0.70 |
| 4gj9 | ALA218 | -0.70 | -0.07 | -0.77 | 0.41 | -0.37 |
| 4gj9 | ALA303 | -0.19 | -0.23 | -0.42 | 0.10 | -0.32 |
