Binding information for 3gx0_ligand_3_520.mol2(FDBF00093)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gx0_ligand_3_520.mol2 | 3gx0 | 1 | -5.26 | CSSC | 4 |
Structure and binding mode of 3gx0_ligand_3_520.mol2(FDBF00093)
Important binding residues for 3gx0_ligand_3_520.mol2(FDBF00093)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gx0 | PRO10 | -0.57 | -0.17 | -0.74 | 0.26 | -0.49 |
| 3gx0 | LEU33 | -0.35 | -0.04 | -0.39 | 0.02 | -0.37 |
| 3gx0 | ILE52 | -0.74 | -0.02 | -0.76 | 0.35 | -0.42 |
