Binding information for 1w6h_ligand_3_136.mol2(FDBF00826)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6h_ligand_3_136.mol2 | 1w6h | 0.666667 | -5.40 | C(OC)C | 4 |
Structure and binding mode of 1w6h_ligand_3_136.mol2(FDBF00826)
Important binding residues for 1w6h_ligand_3_136.mol2(FDBF00826)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w6h | TYR77 | -1.01 | 0.12 | -0.89 | 0.35 | -0.54 |
| 1w6h | ILE123 | -0.45 | -0.04 | -0.49 | 0.16 | -0.32 |
