Binding information for 2xno_ligand_1_1.mol2(FDBF00358)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xno_ligand_1_1.mol2 | 2xno | 1 | -6.44 | c1(ccc2[nH+]c[nH]c2c1)O | 10 |
Structure and binding mode of 2xno_ligand_1_1.mol2(FDBF00358)
Important binding residues for 2xno_ligand_1_1.mol2(FDBF00358)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xno | ILE14 | -1.13 | -0.26 | -1.39 | 0.06 | -1.34 |
| 2xno | VAL35 | -1.06 | -0.44 | -1.5 | 0.25 | -1.25 |
| 2xno | GLU90 | -0.28 | -0.93 | -1.21 | 0.79 | -0.42 |
| 2xno | GLY92 | -0.54 | -0.19 | -0.73 | -0.04 | -0.78 |
| 2xno | PHE148 | -1.23 | 0.56 | -0.67 | -0.09 | -0.76 |
