Binding information for 3myg_ligand_1_5.mol2(FDBF07584)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3myg_ligand_1_5.mol2 | 3myg | 0.255319 | -5.61 | s1nc(cc1)C | 6 |
Structure and binding mode of 3myg_ligand_1_5.mol2(FDBF07584)
Important binding residues for 3myg_ligand_1_5.mol2(FDBF07584)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3myg | LEU139 | -1.12 | 0.34 | -0.78 | -0.17 | -0.95 |
| 3myg | TYR212 | -0.76 | -0.03 | -0.79 | 0.32 | -0.46 |
| 3myg | LEU215 | -0.50 | 0.05 | -0.45 | -0.05 | -0.50 |
| 3myg | GLY216 | -0.92 | -0.29 | -1.21 | 0.34 | -0.88 |
