Binding information for 1w6h_ligand_5_2403.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6h_ligand_5_2403.mol2 | 1w6h | 1 | -5.58 | C(OC)CNC(=O)C | 8 |
Structure and binding mode of 1w6h_ligand_5_2403.mol2(FDBF01215)
Important binding residues for 1w6h_ligand_5_2403.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w6h | GLY36 | -0.14 | 0.40 | 0.26 | -0.59 | -0.32 |
| 1w6h | TYR77 | -1.50 | -0.73 | -2.23 | 0.91 | -1.31 |
| 1w6h | VAL78 | -0.97 | -1.59 | -2.56 | 0.96 | -1.61 |
| 1w6h | SER79 | -0.89 | -0.97 | -1.86 | 1.44 | -0.41 |
| 1w6h | ILE123 | -0.48 | -0.27 | -0.75 | 0.43 | -0.32 |
| 1w6h | THR217 | -1.12 | -1.35 | -2.47 | 1.41 | -1.06 |
