Binding information for 2xnm_ligand_1_4.mol2(FDBF00358)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xnm_ligand_1_4.mol2 | 2xnm | 1 | -6.52 | [nH+]1c[nH]c2ccc(cc12)O | 10 |
Structure and binding mode of 2xnm_ligand_1_4.mol2(FDBF00358)
Important binding residues for 2xnm_ligand_1_4.mol2(FDBF00358)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xnm | ILE14 | -1.24 | -0.25 | -1.49 | 0.07 | -1.42 |
| 2xnm | VAL35 | -0.93 | -0.12 | -1.05 | 0.03 | -1.02 |
| 2xnm | TYR88 | -1.41 | -1.86 | -3.27 | 0.63 | -2.64 |
| 2xnm | CYS89 | 0.53 | -2.79 | -2.26 | 1.36 | -0.90 |
| 2xnm | GLY92 | -0.69 | 0.04 | -0.65 | -0.43 | -1.09 |
| 2xnm | PHE148 | -1.19 | -0.73 | -1.92 | 0.55 | -1.37 |
