Binding information for 3i6m_ligand_1_4.mol2(FDBF00663)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3i6m_ligand_1_4.mol2 | 3i6m | 1 | -6.20 | [NH+]1(CCCCC1)C | 7 |
Structure and binding mode of 3i6m_ligand_1_4.mol2(FDBF00663)
Important binding residues for 3i6m_ligand_1_4.mol2(FDBF00663)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3i6m | PHE330 | -0.77 | -2.29 | -3.06 | 2.67 | -0.39 |
| 3i6m | PHE331 | -0.43 | -1.32 | -1.75 | 1.34 | -0.41 |
| 3i6m | TYR334 | -1.70 | 0.05 | -1.65 | -0.16 | -1.81 |
