Binding information for 1w6h_ligand_2_147.mol2(FDBF07592)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6h_ligand_2_147.mol2 | 1w6h | 0.933333 | -5.85 | N(=C\O)\CC(C)C | 7 |
Structure and binding mode of 1w6h_ligand_2_147.mol2(FDBF07592)
Important binding residues for 1w6h_ligand_2_147.mol2(FDBF07592)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w6h | VAL78 | -0.38 | -0.12 | -0.5 | -0.01 | -0.51 |
| 1w6h | SER79 | -0.78 | -2.68 | -3.46 | 3.14 | -0.33 |
| 1w6h | GLY216 | -0.33 | -0.36 | -0.69 | 0.37 | -0.31 |
| 1w6h | SER218 | -0.48 | -0.71 | -1.19 | 0.68 | -0.51 |
| 1w6h | ILE300 | -0.54 | -0.37 | -0.91 | 0.49 | -0.42 |
