Binding information for 2g5t_ligand_1_1.mol2(FDBF00855)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g5t_ligand_1_1.mol2 | 2g5t | 1 | -5.95 | C[C@H]1CCC[NH2+]1 | 6 |
Structure and binding mode of 2g5t_ligand_1_1.mol2(FDBF00855)
Important binding residues for 2g5t_ligand_1_1.mol2(FDBF00855)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g5t | GLU205 | 0.36 | -48.17 | -47.81 | 44.20 | -3.62 |
| 2g5t | PHE357 | -0.36 | -16.15 | -16.51 | 16.13 | -0.37 |
| 2g5t | TYR662 | -0.60 | 13.62 | 13.02 | -13.51 | -0.49 |
