Binding information for 3g76_ligand_2_8.mol2(FDBF01818)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g76_ligand_2_8.mol2 | 3g76 | 0.404762 | -5.23 | S=C1NNNN1C | 7 |
Structure and binding mode of 3g76_ligand_2_8.mol2(FDBF01818)
Important binding residues for 3g76_ligand_2_8.mol2(FDBF01818)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g76 | GLY306 | -1.57 | -0.19 | -1.76 | 0.68 | -1.09 |
| 3g76 | LEU307 | -0.93 | 0.23 | -0.7 | -0.27 | -0.98 |
