Binding information for 2xno_ligand_4_295.mol2(FDBF00607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xno_ligand_4_295.mol2 | 2xno | 0.833333 | -5.95 | c1(ccccc1)COCC | 10 |
Structure and binding mode of 2xno_ligand_4_295.mol2(FDBF00607)
Important binding residues for 2xno_ligand_4_295.mol2(FDBF00607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xno | CYS22 | -0.43 | -0.01 | -0.44 | -0.42 | -0.86 |
| 2xno | PHE148 | -0.51 | -0.39 | -0.9 | 0.42 | -0.49 |
