Binding information for 1zom_ligand_4_120.mol2(FDBF00782)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zom_ligand_4_120.mol2 | 1zom | 1 | -5.79 | [C@H](CO)(NC=O)CC | 8 |
Structure and binding mode of 1zom_ligand_4_120.mol2(FDBF00782)
Important binding residues for 1zom_ligand_4_120.mol2(FDBF00782)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zom | ALA190 | -0.26 | 0.11 | -0.15 | -0.26 | -0.42 |
| 1zom | LYS192 | -0.74 | -11.37 | -12.11 | 10.08 | -2.03 |
| 1zom | GLY193 | 1.17 | -2.57 | -1.4 | 0.75 | -0.65 |
| 1zom | THR213 | -0.51 | 0.09 | -0.42 | 0.03 | -0.40 |
| 1zom | TRP215 | -0.73 | 0.05 | -0.68 | 0.35 | -0.34 |
