Binding information for 1riw_ligand_4_220.mol2(FDBF06098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1riw_ligand_4_220.mol2 | 1riw | 1 | -5.49 | CCNC(=O)[C@@H](C)O | 8 |
Structure and binding mode of 1riw_ligand_4_220.mol2(FDBF06098)
Important binding residues for 1riw_ligand_4_220.mol2(FDBF06098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1riw | TRP257 | -0.65 | 0.43 | -0.22 | -0.24 | -0.46 |
| 1riw | GLY258 | -0.85 | -2.27 | -3.12 | 2.49 | -0.63 |
| 1riw | GLU259 | -1.11 | -0.95 | -2.06 | 0.82 | -1.23 |
| 1riw | GLY260 | -0.51 | -1.65 | -2.16 | 0.71 | -1.46 |
