Binding information for 1wdn_ligand_2_2.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wdn_ligand_2_2.mol2 | 1wdn | 1 | -6.30 | C(C(=O)N)C | 5 |
Structure and binding mode of 1wdn_ligand_2_2.mol2(FDBF00026)
Important binding residues for 1wdn_ligand_2_2.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wdn | ASP10 | -0.42 | -1.61 | -2.03 | 0.55 | -1.48 |
| 1wdn | PHE13 | -1.76 | -0.70 | -2.46 | 0.73 | -1.74 |
| 1wdn | PHE50 | -1.19 | 0.03 | -1.16 | 0.04 | -1.11 |
| 1wdn | ALA67 | -0.55 | -2.35 | -2.9 | 1.78 | -1.13 |
| 1wdn | LYS115 | 0.34 | -11.62 | -11.28 | 10.06 | -1.21 |
| 1wdn | THR118 | -0.73 | 0.05 | -0.68 | 0.32 | -0.36 |
| 1wdn | HIS156 | -0.23 | -4.03 | -4.26 | 3.30 | -0.96 |
