Binding information for 1w5w_ligand_3_61.mol2(FDBF00262)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w5w_ligand_3_61.mol2 | 1w5w | 0.72093 | -6.07 | COCc1ccc(cc1F)F | 11 |
Structure and binding mode of 1w5w_ligand_3_61.mol2(FDBF00262)
Important binding residues for 1w5w_ligand_3_61.mol2(FDBF00262)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w5w | PRO81 | -0.81 | -0.13 | -0.94 | 0.17 | -0.77 |
| 1w5w | VAL82 | -1.10 | 0.12 | -0.98 | -0.10 | -1.08 |
| 1w5w | ILE84 | -0.47 | 0.08 | -0.39 | -0.15 | -0.54 |
| 1w5w | GLY27 | -0.91 | -0.57 | -1.48 | 1.13 | -0.35 |
| 1w5w | GLY49 | -0.67 | -0.75 | -1.42 | 0.67 | -0.75 |
| 1w5w | ILE50 | -0.63 | -0.22 | -0.85 | 0.26 | -0.59 |
