Binding information for 2w71_ligand_2_0.mol2(FDBF00543)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2w71_ligand_2_0.mol2 | 2w71 | 0.716049 | -7.17 | C(c1c(Cl)cccc1Cl)[n+]1cc[nH]c1C | 15 |
Structure and binding mode of 2w71_ligand_2_0.mol2(FDBF00543)
Important binding residues for 2w71_ligand_2_0.mol2(FDBF00543)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2w71 | LYS159 | 0.26 | -10.50 | -10.24 | 8.00 | -2.24 |
| 2w71 | GLY166 | -1.02 | 0.10 | -0.92 | 0.12 | -0.81 |
| 2w71 | MET169 | -1.09 | 0.98 | -0.11 | -0.47 | -0.59 |
| 2w71 | HIS209 | -1.35 | -1.04 | -2.39 | 1.41 | -0.98 |
| 2w71 | LEU278 | -0.97 | 0.59 | -0.38 | -0.52 | -0.90 |
| 2w71 | ILE287 | -1.26 | -0.17 | -1.43 | 0.07 | -1.36 |
| 2w71 | ILE437 | -1.34 | -0.27 | -1.61 | 0.20 | -1.41 |
