Binding information for 3myg_ligand_3_25.mol2(FDBF00588)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3myg_ligand_3_25.mol2 | 3myg | 1 | -5.36 | C(C)[N@H+](C)C(C)C | 7 |
Structure and binding mode of 3myg_ligand_3_25.mol2(FDBF00588)
Important binding residues for 3myg_ligand_3_25.mol2(FDBF00588)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3myg | GLY216 | -0.35 | 1.03 | 0.68 | -1.13 | -0.45 |
