Binding information for 4gj7_ligand_3_219.mol2(FDBF00169)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gj7_ligand_3_219.mol2 | 4gj7 | 1 | -5.93 | O(C)CCC | 5 |
Structure and binding mode of 4gj7_ligand_3_219.mol2(FDBF00169)
Important binding residues for 4gj7_ligand_3_219.mol2(FDBF00169)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gj7 | GLN13 | -1.21 | -1.35 | -2.56 | 0.31 | -2.25 |
| 4gj7 | TYR14 | -1.03 | -1.26 | -2.29 | 0.92 | -1.37 |
| 4gj7 | VAL30 | -0.71 | 0.03 | -0.68 | -0.16 | -0.84 |
| 4gj7 | PHE117 | -0.58 | -0.03 | -0.61 | 0.24 | -0.37 |
| 4gj7 | ALA218 | -0.73 | -0.42 | -1.15 | 0.63 | -0.52 |
