Binding information for 4gj7_ligand_2_65.mol2(FDBF00826)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gj7_ligand_2_65.mol2 | 4gj7 | 0.666667 | -5.76 | O(C)CC | 4 |
Structure and binding mode of 4gj7_ligand_2_65.mol2(FDBF00826)
Important binding residues for 4gj7_ligand_2_65.mol2(FDBF00826)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gj7 | GLN13 | -0.93 | -1.32 | -2.25 | 0.33 | -1.92 |
| 4gj7 | TYR14 | -0.99 | -1.22 | -2.21 | 0.88 | -1.32 |
| 4gj7 | VAL30 | -0.69 | 0.03 | -0.66 | -0.13 | -0.79 |
| 4gj7 | ALA218 | -0.56 | -0.46 | -1.02 | 0.61 | -0.41 |
| 4gj7 | SER219 | -0.65 | -0.41 | -1.06 | 0.58 | -0.48 |
