Binding information for 4jg8_ligand_1_2.mol2(FDBF00018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jg8_ligand_1_2.mol2 | 4jg8 | 1 | -5.74 | C(O)C(C)C | 5 |
Structure and binding mode of 4jg8_ligand_1_2.mol2(FDBF00018)
Important binding residues for 4jg8_ligand_1_2.mol2(FDBF00018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jg8 | GLY431 | -0.53 | 0.19 | -0.34 | -0.03 | -0.38 |
| 4jg8 | LYS451 | -0.18 | -4.27 | -4.45 | 2.70 | -1.75 |
| 4jg8 | GLY563 | -0.20 | -0.43 | -0.63 | 0.12 | -0.50 |
