Binding information for 1g32_ligand_2_9.mol2(FDBF02187)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g32_ligand_2_9.mol2 | 1g32 | 0.835165 | -7.75 | [nH]1c2c([n+](c1)C)ccc(c2)C[n+]1c([nH]c2c1cccc2)C | 21 |
Structure and binding mode of 1g32_ligand_2_9.mol2(FDBF02187)
Important binding residues for 1g32_ligand_2_9.mol2(FDBF02187)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g32 | TRP60D | -1.69 | -0.27 | -1.96 | 0.90 | -1.06 |
| 1g32 | LEU99 | -1.55 | 0.10 | -1.45 | -0.04 | -1.49 |
| 1g32 | ILE174 | -1.16 | -0.33 | -1.49 | 0.01 | -1.49 |
| 1g32 | TRP215 | -3.37 | -1.08 | -4.45 | 1.47 | -2.98 |
