Binding information for 2iw6_ligand_1_3.mol2(FDBF01117)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iw6_ligand_1_3.mol2 | 2iw6 | 0.285714 | -5.18 | C(C#N)[NH3+] | 4 |
Structure and binding mode of 2iw6_ligand_1_3.mol2(FDBF01117)
Important binding residues for 2iw6_ligand_1_3.mol2(FDBF01117)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2iw6 | GLU51 | -0.13 | -33.76 | -33.89 | 33.51 | -0.37 |
| 2iw6 | PHE80 | -1.15 | -0.42 | -1.57 | 0.12 | -1.45 |
| 2iw6 | LEU134 | -0.36 | 1.21 | 0.85 | -1.19 | -0.34 |
| 2iw6 | ASP145 | -0.50 | -20.85 | -21.35 | 20.56 | -0.78 |
