Binding information for 2hwh_ligand_1_0.mol2(FDBF01928)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hwh_ligand_1_0.mol2 | 2hwh | 0.647059 | -5.68 | Cc1ccc(o1)C | 7 |
Structure and binding mode of 2hwh_ligand_1_0.mol2(FDBF01928)
Important binding residues for 2hwh_ligand_1_0.mol2(FDBF01928)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hwh | LEU419 | -0.45 | -0.04 | -0.49 | 0.01 | -0.49 |
| 2hwh | ILE482 | -0.85 | 0.13 | -0.72 | -0.25 | -0.97 |
| 2hwh | LEU497 | -1.26 | -0.07 | -1.33 | -0.03 | -1.37 |
