Binding information for 2xz5_ligand.mol2(FDBF00191)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xz5_ligand.mol2 | 2xz5 | 0.666667 | -6.16 | [N+](CCOC(=O)C)(C)(C)C | 11 |
Structure and binding mode of 2xz5_ligand.mol2(FDBF00191)
Important binding residues for 2xz5_ligand.mol2(FDBF00191)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xz5 | TYR91 | -1.17 | -19.90 | -21.07 | 20.57 | -0.49 |
| 2xz5 | TRP145 | -3.43 | -7.29 | -10.72 | 9.75 | -0.97 |
| 2xz5 | VAL146 | -1.00 | -0.49 | -1.49 | 0.66 | -0.83 |
| 2xz5 | TYR186 | -1.39 | -0.95 | -2.34 | 1.13 | -1.20 |
| 2xz5 | CYS188 | -0.75 | 0.83 | 0.08 | -0.82 | -0.73 |
| 2xz5 | TYR193 | -1.40 | -1.72 | -3.12 | 1.83 | -1.29 |
| 2xz5 | ILE116 | -1.11 | -0.90 | -2.01 | 0.93 | -1.08 |
