Binding information for 4jbo_ligand_1_10.mol2(FDBF00869)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jbo_ligand_1_10.mol2 | 4jbo | 1 | -7.27 | c1(ccccc1)NC(=O)N | 10 |
Structure and binding mode of 4jbo_ligand_1_10.mol2(FDBF00869)
Important binding residues for 4jbo_ligand_1_10.mol2(FDBF00869)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jbo | LYS162 | 0.53 | -11.50 | -10.97 | 9.26 | -1.72 |
| 4jbo | LEU164 | -0.79 | 1.05 | 0.26 | -0.91 | -0.66 |
| 4jbo | LEU169 | -0.47 | 0.02 | -0.45 | 0.13 | -0.32 |
| 4jbo | VAL174 | -0.44 | -0.37 | -0.81 | 0.29 | -0.53 |
| 4jbo | GLN177 | -0.74 | -0.02 | -0.76 | 0.30 | -0.45 |
| 4jbo | LEU178 | -1.39 | -0.44 | -1.83 | 0.29 | -1.54 |
| 4jbo | LEU208 | -0.46 | -0.26 | -0.72 | 0.41 | -0.31 |
| 4jbo | GLY276 | -0.83 | 0.14 | -0.69 | -0.17 | -0.87 |
