Binding information for 3g19_ligand_1_2.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g19_ligand_1_2.mol2 | 3g19 | 1 | -6.39 | CC(C)C | 4 |
Structure and binding mode of 3g19_ligand_1_2.mol2(FDBF00012)
Important binding residues for 3g19_ligand_1_2.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g19 | MET53 | -1.21 | -0.00 | -1.21 | 0.04 | -1.17 |
| 3g19 | VAL56 | -0.69 | 0.00 | -0.69 | -0.09 | -0.78 |
| 3g19 | MET75 | -0.80 | -0.03 | -0.83 | 0.33 | -0.51 |
| 3g19 | VAL78 | -0.72 | 0.01 | -0.71 | -0.26 | -0.98 |
