Binding information for 1wdn_ligand_1_2.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wdn_ligand_1_2.mol2 | 1wdn | 1 | -5.99 | CC(=O)N | 4 |
Structure and binding mode of 1wdn_ligand_1_2.mol2(FDBF00015)
Important binding residues for 1wdn_ligand_1_2.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wdn | ASP10 | -0.40 | -1.76 | -2.16 | 0.70 | -1.45 |
| 1wdn | PHE13 | -1.70 | -0.66 | -2.36 | 0.70 | -1.66 |
| 1wdn | PHE50 | -0.81 | 0.05 | -0.76 | -0.04 | -0.81 |
| 1wdn | ALA67 | -0.42 | -2.40 | -2.82 | 1.73 | -1.09 |
| 1wdn | LYS115 | 0.36 | -11.31 | -10.95 | 9.54 | -1.41 |
| 1wdn | HIS156 | -0.36 | -3.94 | -4.3 | 3.08 | -1.22 |
