Binding information for 4wn5_ligand_1_12.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wn5_ligand_1_12.mol2 | 4wn5 | 1 | -5.81 | CC=C | 3 |
Structure and binding mode of 4wn5_ligand_1_12.mol2(FDBF00022)
Important binding residues for 4wn5_ligand_1_12.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wn5 | ALA274 | -0.54 | -0.07 | -0.61 | -0.05 | -0.66 |
