Binding information for 1g30_ligand_1_2.mol2(FDBF03537)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g30_ligand_1_2.mol2 | 1g30 | 0.685714 | -6.66 | [nH]1c2c([n+](c1C)C)cccc2 | 11 |
Structure and binding mode of 1g30_ligand_1_2.mol2(FDBF03537)
Important binding residues for 1g30_ligand_1_2.mol2(FDBF03537)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g30 | TRP60D | -1.83 | -0.22 | -2.05 | 0.79 | -1.26 |
| 1g30 | LEU99 | -0.88 | 0.08 | -0.8 | -0.20 | -1.00 |
| 1g30 | SER195 | -0.54 | -0.25 | -0.79 | 0.33 | -0.46 |
| 1g30 | TRP215 | -1.96 | -1.54 | -3.5 | 1.14 | -2.35 |
