Binding information for 1w5w_ligand_2_12.mol2(FDBF00266)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w5w_ligand_2_12.mol2 | 1w5w | 0.815789 | -6.21 | c1(c(cc(cc1)F)F)CO | 10 |
Structure and binding mode of 1w5w_ligand_2_12.mol2(FDBF00266)
Important binding residues for 1w5w_ligand_2_12.mol2(FDBF00266)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w5w | GLY49 | -0.47 | -1.06 | -1.53 | 0.79 | -0.74 |
| 1w5w | ILE50 | -0.44 | -0.09 | -0.53 | 0.07 | -0.46 |
| 1w5w | PRO81 | -0.95 | -0.19 | -1.14 | 0.26 | -0.88 |
| 1w5w | VAL82 | -1.37 | 0.06 | -1.31 | -0.01 | -1.32 |
