Binding information for 4b05_ligand_1_2.mol2(FDBF07607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b05_ligand_1_2.mol2 | 4b05 | 0.516667 | -6.99 | c1(cncnc1)c1ccccc1 | 12 |
Structure and binding mode of 4b05_ligand_1_2.mol2(FDBF07607)
Important binding residues for 4b05_ligand_1_2.mol2(FDBF07607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b05 | GLN12 | -0.99 | -0.02 | -1.01 | 0.36 | -0.65 |
| 4b05 | GLY13 | -0.65 | -0.43 | -1.08 | 0.24 | -0.83 |
| 4b05 | LEU30 | -1.11 | -0.41 | -1.52 | 0.52 | -1.00 |
| 4b05 | PHE108 | -1.20 | -0.43 | -1.63 | 1.09 | -0.54 |
| 4b05 | TRP115 | -0.99 | -0.04 | -1.03 | 0.56 | -0.46 |
| 4b05 | ILE118 | -0.88 | -0.01 | -0.89 | -0.06 | -0.96 |
