Binding information for 3g76_ligand_2_34.mol2(FDBF00684)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g76_ligand_2_34.mol2 | 3g76 | 1 | -5.31 | O(C)C(C)C | 5 |
Structure and binding mode of 3g76_ligand_2_34.mol2(FDBF00684)
Important binding residues for 3g76_ligand_2_34.mol2(FDBF00684)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g76 | LEU307 | -0.26 | -0.23 | -0.49 | 0.09 | -0.40 |
| 3g76 | TRP323 | -0.50 | -0.06 | -0.56 | 0.08 | -0.49 |
