Binding information for 4zba_ligand_3_520.mol2(FDBF00093)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zba_ligand_3_520.mol2 | 4zba | 1 | -5.23 | S(SC)C | 4 |
Structure and binding mode of 4zba_ligand_3_520.mol2(FDBF00093)
Important binding residues for 4zba_ligand_3_520.mol2(FDBF00093)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zba | HIS13 | -0.81 | -0.58 | -1.39 | 0.69 | -0.70 |
| 4zba | VAL40 | -0.38 | -0.32 | -0.7 | 0.11 | -0.59 |
| 4zba | THR59 | -0.67 | -1.05 | -1.72 | 1.41 | -0.31 |
