Binding information for 1i7m_ligand_2_2.mol2(FDBF00025)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1i7m_ligand_2_2.mol2 | 1i7m | 1 | -6.16 | C(C[NH3+])C | 4 |
Structure and binding mode of 1i7m_ligand_2_2.mol2(FDBF00025)
Important binding residues for 1i7m_ligand_2_2.mol2(FDBF00025)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1i7m | GLU15 | 1.00 | -54.57 | -53.57 | 49.54 | -4.03 |
| 1i7m | PHE111 | -1.07 | -1.31 | -2.38 | 1.00 | -1.38 |
| 1i7m | ASP174 | 0.24 | -24.78 | -24.54 | 20.30 | -4.24 |
| 1i7m | THR176 | 1.41 | -10.27 | -8.86 | 3.92 | -4.93 |
| 1i7m | PHE285 | -1.45 | -0.45 | -1.9 | 0.48 | -1.42 |
| 1i7m | TYR318 | -0.91 | 21.70 | 20.79 | -21.14 | -0.35 |
