Binding information for 2zb1_ligand_2_0.mol2(FDBF00858)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zb1_ligand_2_0.mol2 | 2zb1 | 1 | -6.95 | c1(ccccc1)C(=O)NC | 10 |
Structure and binding mode of 2zb1_ligand_2_0.mol2(FDBF00858)
Important binding residues for 2zb1_ligand_2_0.mol2(FDBF00858)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zb1 | TYR35 | -1.64 | -0.87 | -2.51 | 0.89 | -1.62 |
| 2zb1 | VAL38 | -0.35 | -0.06 | -0.41 | -0.07 | -0.47 |
| 2zb1 | ALA51 | -0.62 | -0.13 | -0.75 | 0.09 | -0.66 |
| 2zb1 | ILE84 | -0.60 | -0.05 | -0.65 | -0.03 | -0.67 |
| 2zb1 | LEU108 | -0.93 | -1.41 | -2.34 | 0.73 | -1.61 |
| 2zb1 | MET109 | -1.13 | -0.71 | -1.84 | 0.82 | -1.02 |
| 2zb1 | ALA157 | -0.59 | -0.39 | -0.98 | 0.22 | -0.76 |
| 2zb1 | LEU167 | -1.61 | -0.02 | -1.63 | -0.22 | -1.85 |
