Binding information for 3i6m_ligand_3_9.mol2(FDBF00666)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3i6m_ligand_3_9.mol2 | 3i6m | 1 | -6.59 | C(C)C[NH+]1CCCCC1 | 9 |
Structure and binding mode of 3i6m_ligand_3_9.mol2(FDBF00666)
Important binding residues for 3i6m_ligand_3_9.mol2(FDBF00666)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3i6m | PHE330 | -0.86 | -2.21 | -3.07 | 2.64 | -0.43 |
| 3i6m | PHE331 | -0.44 | -1.27 | -1.71 | 1.29 | -0.42 |
| 3i6m | TYR334 | -2.36 | 0.21 | -2.15 | -0.30 | -2.44 |
