Binding information for 4gj7_ligand_1_11.mol2(FDBF06412)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gj7_ligand_1_11.mol2 | 4gj7 | 0.25 | -5.42 | O(C)C | 3 |
Structure and binding mode of 4gj7_ligand_1_11.mol2(FDBF06412)
Important binding residues for 4gj7_ligand_1_11.mol2(FDBF06412)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gj7 | GLN13 | -0.51 | -1.30 | -1.81 | 0.29 | -1.52 |
| 4gj7 | TYR14 | -0.85 | -1.23 | -2.08 | 0.83 | -1.25 |
| 4gj7 | VAL30 | -0.48 | 0.05 | -0.43 | -0.13 | -0.57 |
| 4gj7 | ALA218 | -0.49 | -0.50 | -0.99 | 0.63 | -0.35 |
| 4gj7 | SER219 | -0.53 | -0.40 | -0.93 | 0.50 | -0.43 |
