Binding information for 1g32_ligand_1_2.mol2(FDBF03537)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g32_ligand_1_2.mol2 | 1g32 | 0.685714 | -6.66 | [nH]1c2c([n+](c1C)C)cccc2 | 11 |
Structure and binding mode of 1g32_ligand_1_2.mol2(FDBF03537)
Important binding residues for 1g32_ligand_1_2.mol2(FDBF03537)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g32 | TRP60D | -1.82 | -0.30 | -2.12 | 0.87 | -1.25 |
| 1g32 | LEU99 | -0.83 | 0.11 | -0.72 | -0.20 | -0.92 |
| 1g32 | SER195 | -0.53 | -0.36 | -0.89 | 0.33 | -0.56 |
| 1g32 | TRP215 | -1.92 | -1.51 | -3.43 | 1.13 | -2.30 |
