Binding information for 3gjd_ligand_1_1.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gjd_ligand_1_1.mol2 | 3gjd | 1 | -6.50 | CC(C)C | 4 |
Structure and binding mode of 3gjd_ligand_1_1.mol2(FDBF00007)
Important binding residues for 3gjd_ligand_1_1.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gjd | ILE359 | -0.80 | 0.01 | -0.79 | -0.01 | -0.81 |
