Binding information for 2zu5_ligand_3_800.mol2(FDBF00684)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zu5_ligand_3_800.mol2 | 2zu5 | 0.857143 | -5.91 | CC(C)OC(C)(C)C | 8 |
Structure and binding mode of 2zu5_ligand_3_800.mol2(FDBF00684)
Important binding residues for 2zu5_ligand_3_800.mol2(FDBF00684)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zu5 | PRO168 | -0.80 | -0.05 | -0.85 | 0.02 | -0.83 |
