Binding information for 4wcu_ligand_3_100.mol2(FDBF00297)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wcu_ligand_3_100.mol2 | 4wcu | 1 | -6.55 | O(C)c1c(cccc1)OC | 10 |
Structure and binding mode of 4wcu_ligand_3_100.mol2(FDBF00297)
Important binding residues for 4wcu_ligand_3_100.mol2(FDBF00297)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wcu | ILE336 | -1.74 | 0.01 | -1.73 | -0.24 | -1.97 |
| 4wcu | MET337 | -0.46 | -0.28 | -0.74 | 0.26 | -0.48 |
| 4wcu | PHE340 | -0.83 | -0.17 | -1 | 0.62 | -0.39 |
| 4wcu | MET357 | -0.74 | -0.51 | -1.25 | 0.79 | -0.46 |
| 4wcu | GLN369 | -0.85 | -0.32 | -1.17 | 0.75 | -0.43 |
| 4wcu | PHE372 | -2.38 | 0.59 | -1.79 | 0.36 | -1.43 |
