Binding information for 2uy0_ligand_1_6.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uy0_ligand_1_6.mol2 | 2uy0 | 1 | -6.42 | CC(C)(C)C | 5 |
Structure and binding mode of 2uy0_ligand_1_6.mol2(FDBF00012)
Important binding residues for 2uy0_ligand_1_6.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uy0 | ILE47 | -0.70 | 0.01 | -0.69 | 0.00 | -0.68 |
| 2uy0 | ILE84 | -0.39 | 0.00 | -0.39 | -0.03 | -0.42 |
