Binding information for 2y5f_ligand_4_34.mol2(FDBF02832)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y5f_ligand_4_34.mol2 | 2y5f | 0.807692 | -6.17 | CC[N+]1(CCO)CCCC1 | 10 |
Structure and binding mode of 2y5f_ligand_4_34.mol2(FDBF02832)
Important binding residues for 2y5f_ligand_4_34.mol2(FDBF02832)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2y5f | TYR99 | -2.15 | -2.43 | -4.58 | 2.75 | -1.83 |
| 2y5f | PHE174 | -2.23 | -1.30 | -3.53 | 1.50 | -2.03 |
| 2y5f | TRP215 | -2.37 | -0.99 | -3.36 | 1.47 | -1.89 |
