Binding information for 1w5w_ligand_2_10.mol2(FDBF00262)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w5w_ligand_2_10.mol2 | 1w5w | 0.815789 | -6.05 | c1(ccc(cc1F)F)CO | 10 |
Structure and binding mode of 1w5w_ligand_2_10.mol2(FDBF00262)
Important binding residues for 1w5w_ligand_2_10.mol2(FDBF00262)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w5w | PRO81 | -0.80 | -0.23 | -1.03 | 0.26 | -0.77 |
| 1w5w | VAL82 | -1.09 | 0.11 | -0.98 | -0.09 | -1.07 |
| 1w5w | ILE84 | -0.44 | 0.23 | -0.21 | -0.28 | -0.49 |
| 1w5w | GLY27 | -0.62 | -0.08 | -0.7 | 0.38 | -0.33 |
| 1w5w | GLY49 | -0.64 | -0.93 | -1.57 | 0.76 | -0.80 |
| 1w5w | ILE50 | -0.59 | -0.22 | -0.81 | 0.30 | -0.51 |
