Binding information for 2wfj_ligand_3_91.mol2(FDBF00021)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wfj_ligand_3_91.mol2 | 2wfj | 1 | -5.15 | C(=C\C)/C[C@H](CO)C | 8 |
Structure and binding mode of 2wfj_ligand_3_91.mol2(FDBF00021)
Important binding residues for 2wfj_ligand_3_91.mol2(FDBF00021)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wfj | ARG115 | -1.37 | 0.24 | -1.13 | 0.36 | -0.77 |
| 2wfj | GLY116 | -0.36 | -0.02 | -0.38 | -0.05 | -0.43 |
