Binding information for 5alm_ligand_3_9.mol2(FDBF02411)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5alm_ligand_3_9.mol2 | 5alm | 0.814815 | -7.26 | C([N@@H+]1CC[C@@](C1)(C)O)C1CC1 | 11 |
Structure and binding mode of 5alm_ligand_3_9.mol2(FDBF02411)
Important binding residues for 5alm_ligand_3_9.mol2(FDBF02411)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5alm | TRP336 | -2.09 | 2.05 | -0.04 | -1.78 | -1.82 |
| 5alm | TYR383 | -1.13 | 15.36 | 14.23 | -15.38 | -1.15 |
| 5alm | GLN384 | -0.67 | -13.72 | -14.39 | 13.89 | -0.50 |
| 5alm | LEU499 | -0.67 | -17.12 | -17.79 | 17.15 | -0.64 |
