Binding information for 1elc_ligand_3_8.mol2(FDBF04541)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elc_ligand_3_8.mol2 | 1elc | 0.894737 | -5.61 | C(F)(F)(F)C(=O)NCC | 9 |
Structure and binding mode of 1elc_ligand_3_8.mol2(FDBF04541)
Important binding residues for 1elc_ligand_3_8.mol2(FDBF04541)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1elc | VAL103 | -0.30 | 0.12 | -0.18 | -0.18 | -0.36 |
| 1elc | GLN200 | -0.76 | -0.92 | -1.68 | 1.28 | -0.39 |
| 1elc | SER203 | -0.46 | -0.33 | -0.79 | -0.24 | -1.03 |
