Binding information for 1szm_ligand_1_0.mol2(FDBF00380)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1szm_ligand_1_0.mol2 | 1szm | 1 | -5.67 | C[C@H]1[N@@H+](C)CCC1 | 7 |
Structure and binding mode of 1szm_ligand_1_0.mol2(FDBF00380)
Important binding residues for 1szm_ligand_1_0.mol2(FDBF00380)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1szm | PHE54 | -0.60 | -0.55 | -1.15 | 0.23 | -0.92 |
| 1szm | GLU170 | -0.59 | -46.17 | -46.76 | 45.45 | -1.31 |
