Binding information for 2nmy_ligand_1_1.mol2(FDBF05450)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2nmy_ligand_1_1.mol2 | 2nmy | 0.461538 | -5.19 | C/N=C\O | 4 |
Structure and binding mode of 2nmy_ligand_1_1.mol2(FDBF05450)
Important binding residues for 2nmy_ligand_1_1.mol2(FDBF05450)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2nmy | ALA28 | -0.76 | -0.79 | -1.55 | 0.14 | -1.41 |
| 2nmy | ASP29 | -0.70 | -4.75 | -5.45 | 4.44 | -1.01 |
