Binding information for 4fn5_ligand_1_2.mol2(FDBF02172)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fn5_ligand_1_2.mol2 | 4fn5 | 0.826923 | -6.21 | C1C[C@H]2[C@@H](CCC[C@@H]2OC)[NH2+]1 | 11 |
Structure and binding mode of 4fn5_ligand_1_2.mol2(FDBF02172)
Important binding residues for 4fn5_ligand_1_2.mol2(FDBF02172)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fn5 | GLU413 | -1.28 | -1.19 | -2.47 | 1.56 | -0.91 |
| 4fn5 | PRO414 | -2.25 | 0.33 | -1.92 | 0.51 | -1.42 |
| 4fn5 | MET685 | -1.04 | -0.43 | -1.47 | 0.40 | -1.06 |
