Binding information for 2iw6_ligand_frag_3.mol2(FDBF00569)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iw6_ligand_frag_3.mol2 | 2iw6 | 1 | -5.44 | CC#N | 3 |
Structure and binding mode of 2iw6_ligand_frag_3.mol2(FDBF00569)
Important binding residues for 2iw6_ligand_frag_3.mol2(FDBF00569)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2iw6 | VAL18 | -0.40 | 0.21 | -0.19 | -0.22 | -0.42 |
| 2iw6 | VAL64 | -0.39 | -1.75 | -2.14 | 1.73 | -0.42 |
| 2iw6 | PHE80 | -1.14 | 0.06 | -1.08 | 0.07 | -1.02 |
| 2iw6 | ALA144 | -0.05 | -0.98 | -1.03 | 0.63 | -0.40 |
| 2iw6 | ASP145 | -0.48 | -0.33 | -0.81 | 0.09 | -0.72 |
