Binding information for 1f0r_ligand_1_1.mol2(FDBF02735)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1f0r_ligand_1_1.mol2 | 1f0r | 1 | -5.47 | N1(CCCC1=O)C | 7 |
Structure and binding mode of 1f0r_ligand_1_1.mol2(FDBF02735)
Important binding residues for 1f0r_ligand_1_1.mol2(FDBF02735)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1f0r | TRP215 | -0.40 | 0.18 | -0.22 | -0.11 | -0.33 |
| 1f0r | GLU217 | -0.90 | 6.55 | 5.65 | -5.98 | -0.34 |
