Binding information for 1pzp_ligand_2_9.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pzp_ligand_2_9.mol2 | 1pzp | 1 | -6.35 | N(c1ccccc1)C | 8 |
Structure and binding mode of 1pzp_ligand_2_9.mol2(FDBF00049)
Important binding residues for 1pzp_ligand_2_9.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pzp | LEU221 | -0.52 | 0.32 | -0.2 | -0.23 | -0.43 |
| 1pzp | ALA224 | -0.82 | -0.92 | -1.74 | 0.45 | -1.29 |
| 1pzp | LEU225 | -0.71 | 0.18 | -0.53 | -0.11 | -0.64 |
| 1pzp | ILE279 | -0.60 | 0.58 | -0.02 | -0.39 | -0.41 |
| 1pzp | ILE282 | -0.16 | -0.14 | -0.3 | -0.04 | -0.35 |
| 1pzp | GLY283 | -0.80 | -1.52 | -2.32 | 0.51 | -1.82 |
| 1pzp | ALA284 | -1.03 | 0.20 | -0.83 | -0.02 | -0.85 |
