Binding information for 1b6l_ligand_2_15.mol2(FDBF00665)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b6l_ligand_2_15.mol2 | 1b6l | 1 | -6.19 | C(=O)(N)[C@H]1[N@@H+](CCCC1)C | 10 |
Structure and binding mode of 1b6l_ligand_2_15.mol2(FDBF00665)
Important binding residues for 1b6l_ligand_2_15.mol2(FDBF00665)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1b6l | ILE50 | -0.64 | 1.06 | 0.42 | -1.17 | -0.75 |
| 1b6l | PRO81 | -0.57 | 1.64 | 1.07 | -1.59 | -0.53 |
| 1b6l | VAL82 | -0.58 | -0.94 | -1.52 | 1.04 | -0.48 |
| 1b6l | ILE84 | -0.77 | 1.04 | 0.27 | -1.13 | -0.86 |
| 1b6l | ALA128 | -0.85 | 1.82 | 0.97 | -1.43 | -0.47 |
| 1b6l | ILE150 | -0.71 | 0.25 | -0.46 | -0.35 | -0.80 |
