Binding information for 3el1_ligand_1_1.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3el1_ligand_1_1.mol2 | 3el1 | 1 | -6.36 | CC(C)(C)C | 5 |
Structure and binding mode of 3el1_ligand_1_1.mol2(FDBF00007)
Important binding residues for 3el1_ligand_1_1.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3el1 | ILE50 | -0.35 | 0.01 | -0.34 | -0.00 | -0.34 |
| 3el1 | ILE84 | -0.62 | 0.00 | -0.62 | -0.05 | -0.67 |
