Binding information for 1g2m_ligand_1_4.mol2(FDBF03537)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g2m_ligand_1_4.mol2 | 1g2m | 0.685714 | -6.72 | [n+]1(c([nH]c2c1cccc2)C)C | 11 |
Structure and binding mode of 1g2m_ligand_1_4.mol2(FDBF03537)
Important binding residues for 1g2m_ligand_1_4.mol2(FDBF03537)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g2m | THR98 | -0.77 | -0.28 | -1.05 | 0.49 | -0.55 |
| 1g2m | TYR99 | -1.74 | -0.41 | -2.15 | 0.87 | -1.27 |
| 1g2m | PHE174 | -2.94 | 0.39 | -2.55 | 0.27 | -2.29 |
| 1g2m | TRP215 | -1.36 | -0.18 | -1.54 | 0.85 | -0.69 |
