Binding information for 3d7z_ligand_2_14.mol2(FDBF00858)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3d7z_ligand_2_14.mol2 | 3d7z | 1 | -7.05 | CNC(=O)c1ccccc1 | 10 |
Structure and binding mode of 3d7z_ligand_2_14.mol2(FDBF00858)
Important binding residues for 3d7z_ligand_2_14.mol2(FDBF00858)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3d7z | TYR35 | -1.48 | -0.66 | -2.14 | 0.77 | -1.36 |
| 3d7z | VAL38 | -0.57 | 0.03 | -0.54 | -0.07 | -0.61 |
| 3d7z | ALA51 | -0.74 | -0.11 | -0.85 | 0.06 | -0.79 |
| 3d7z | ILE84 | -0.37 | 0.04 | -0.33 | -0.08 | -0.41 |
| 3d7z | LEU108 | -1.00 | -1.73 | -2.73 | 0.81 | -1.93 |
| 3d7z | MET109 | -1.05 | -1.26 | -2.31 | 0.72 | -1.58 |
| 3d7z | ALA157 | -0.72 | -0.35 | -1.07 | 0.24 | -0.83 |
| 3d7z | LEU167 | -1.58 | 0.02 | -1.56 | -0.16 | -1.72 |
