Binding information for 1w6h_ligand_4_1695.mol2(FDBF07662)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6h_ligand_4_1695.mol2 | 1w6h | 0.470588 | -6.22 | C[C@@H]([C@H](C)O)/N=C\O | 8 |
Structure and binding mode of 1w6h_ligand_4_1695.mol2(FDBF07662)
Important binding residues for 1w6h_ligand_4_1695.mol2(FDBF07662)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w6h | GLY36 | -0.78 | -0.89 | -1.67 | -0.33 | -2.00 |
| 1w6h | TYR77 | -1.51 | 0.19 | -1.32 | 0.27 | -1.05 |
| 1w6h | VAL78 | -1.04 | -0.44 | -1.48 | 0.10 | -1.38 |
| 1w6h | SER215 | -0.08 | -0.11 | -0.19 | -0.17 | -0.36 |
| 1w6h | GLY216 | -0.81 | 0.17 | -0.64 | -0.36 | -1.00 |
