Binding information for 2w3i_ligand_frag_5.mol2(FDBF00485)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2w3i_ligand_frag_5.mol2 | 2w3i | 0.773196 | -6.08 | N1=CCC=CC1=O | 7 |
Structure and binding mode of 2w3i_ligand_frag_5.mol2(FDBF00485)
Important binding residues for 2w3i_ligand_frag_5.mol2(FDBF00485)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2w3i | TYR99 | -1.36 | -0.49 | -1.85 | 0.73 | -1.13 |
| 2w3i | PHE174 | -1.35 | 0.44 | -0.91 | -0.17 | -1.08 |
| 2w3i | TRP215 | -0.97 | -1.29 | -2.26 | 0.77 | -1.50 |
