Binding information for 1wdn_ligand_frag_3.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wdn_ligand_frag_3.mol2 | 1wdn | 1 | -5.56 | C(=O)N | 3 |
Structure and binding mode of 1wdn_ligand_frag_3.mol2(FDBF00003)
Important binding residues for 1wdn_ligand_frag_3.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wdn | ASP10 | -0.35 | -2.20 | -2.55 | 1.23 | -1.32 |
| 1wdn | PHE13 | -1.28 | -0.79 | -2.07 | 0.79 | -1.28 |
| 1wdn | PHE50 | -0.63 | 0.09 | -0.54 | -0.02 | -0.56 |
| 1wdn | ALA67 | -0.30 | -2.35 | -2.65 | 1.77 | -0.88 |
| 1wdn | LYS115 | 0.44 | -10.76 | -10.32 | 8.49 | -1.84 |
| 1wdn | HIS156 | -0.07 | -3.74 | -3.81 | 2.59 | -1.22 |
