Binding information for 2wd3_ligand_2_7.mol2(FDBF02956)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wd3_ligand_2_7.mol2 | 2wd3 | 0.483871 | -5.82 | [nH]1cn[n+](c1)Cc1ccc(cc1)C#N | 14 |
Structure and binding mode of 2wd3_ligand_2_7.mol2(FDBF02956)
Important binding residues for 2wd3_ligand_2_7.mol2(FDBF02956)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wd3 | LEU60 | -1.06 | 0.25 | -0.81 | -0.08 | -0.89 |
| 2wd3 | ASN62 | -1.14 | -1.86 | -3 | 1.31 | -1.69 |
| 2wd3 | ASN67 | -1.08 | -0.87 | -1.95 | 1.47 | -0.47 |
| 2wd3 | PHE130 | -0.79 | -0.23 | -1.02 | 0.37 | -0.64 |
| 2wd3 | LEU197 | -0.39 | -0.10 | -0.49 | 0.06 | -0.43 |
