Binding information for 4mb9_ligand_1_4.mol2(FDBF00255)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mb9_ligand_1_4.mol2 | 4mb9 | 0.8125 | -5.54 | C[C@@H]1CCOC1 | 6 |
Structure and binding mode of 4mb9_ligand_1_4.mol2(FDBF00255)
Important binding residues for 4mb9_ligand_1_4.mol2(FDBF00255)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mb9 | PRO84 | -0.94 | 0.08 | -0.86 | -0.12 | -0.97 |
| 4mb9 | ILE98 | -0.71 | 0.07 | -0.64 | -0.09 | -0.73 |
