Binding information for 1pzo_ligand_1_0.mol2(FDBF00205)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pzo_ligand_1_0.mol2 | 1pzo | 1 | -6.77 | Clc1ccc(cc1)C | 8 |
Structure and binding mode of 1pzo_ligand_1_0.mol2(FDBF00205)
Important binding residues for 1pzo_ligand_1_0.mol2(FDBF00205)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pzo | ALA217 | -0.50 | -0.03 | -0.53 | -0.01 | -0.54 |
| 1pzo | GLY236 | -0.51 | -0.37 | -0.88 | 0.22 | -0.66 |
| 1pzo | GLY245 | -0.83 | -0.21 | -1.04 | 0.28 | -0.76 |
| 1pzo | ILE246 | -1.52 | 0.11 | -1.41 | -0.18 | -1.58 |
| 1pzo | ILE263 | -0.66 | 0.09 | -0.57 | -0.09 | -0.66 |
| 1pzo | ILE279 | -0.94 | -0.05 | -0.99 | -0.01 | -1.00 |
