Binding information for 3du8_ligand_1_1.mol2(FDBF03720)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3du8_ligand_1_1.mol2 | 3du8 | 1 | -5.23 | C(F)C | 3 |
Structure and binding mode of 3du8_ligand_1_1.mol2(FDBF03720)
Important binding residues for 3du8_ligand_1_1.mol2(FDBF03720)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3du8 | GLN185 | -0.73 | -0.47 | -1.2 | 0.87 | -0.34 |
