Binding information for 4fn5_ligand_2_10.mol2(FDBF02172)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fn5_ligand_2_10.mol2 | 4fn5 | 0.826923 | -6.51 | C[C@@H]1C[NH2+][C@H]2[C@H]1[C@H](CCC2)OC | 12 |
Structure and binding mode of 4fn5_ligand_2_10.mol2(FDBF02172)
Important binding residues for 4fn5_ligand_2_10.mol2(FDBF02172)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fn5 | GLU413 | -1.30 | -1.16 | -2.46 | 1.55 | -0.91 |
| 4fn5 | PRO414 | -2.42 | 0.32 | -2.1 | 0.56 | -1.54 |
| 4fn5 | MET685 | -1.04 | -0.44 | -1.48 | 0.42 | -1.07 |
