Binding information for 1c5f_ligand_3_91.mol2(FDBF00021)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c5f_ligand_3_91.mol2 | 1c5f | 1 | -5.13 | C(O)[C@@H](C/C=C/C)C | 8 |
Structure and binding mode of 1c5f_ligand_3_91.mol2(FDBF00021)
Important binding residues for 1c5f_ligand_3_91.mol2(FDBF00021)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1c5f | LYS114 | -1.11 | 0.66 | -0.45 | -0.13 | -0.59 |
