Binding information for 1z5m_ligand_1_3.mol2(FDBF02500)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1z5m_ligand_1_3.mol2 | 1z5m | 0.592593 | -6.77 | N(C(=O)N1CCCC1)c1ccccc1 | 14 |
Structure and binding mode of 1z5m_ligand_1_3.mol2(FDBF02500)
Important binding residues for 1z5m_ligand_1_3.mol2(FDBF02500)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1z5m | LEU88 | -0.52 | -3.78 | -4.3 | 3.39 | -0.91 |
| 1z5m | GLY89 | -0.49 | 0.22 | -0.27 | -0.12 | -0.40 |
| 1z5m | ASN164 | -0.44 | 0.31 | -0.13 | -0.49 | -0.61 |
| 1z5m | GLY165 | -1.13 | -2.06 | -3.19 | 1.04 | -2.15 |
| 1z5m | LYS169 | -0.67 | -2.32 | -2.99 | 2.43 | -0.56 |
| 1z5m | LEU212 | -0.43 | -0.23 | -0.66 | 0.16 | -0.50 |
