Binding information for 2zmm_ligand_2_3.mol2(FDBF02500)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zmm_ligand_2_3.mol2 | 2zmm | 0.611765 | -7.05 | C(=O)(NC)N(c1ccccc1)C1CCCCC1 | 17 |
Structure and binding mode of 2zmm_ligand_2_3.mol2(FDBF02500)
Important binding residues for 2zmm_ligand_2_3.mol2(FDBF02500)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zmm | TYR46 | -0.98 | -0.06 | -1.04 | 0.35 | -0.68 |
| 2zmm | VAL49 | -1.38 | -0.01 | -1.39 | 0.02 | -1.37 |
| 2zmm | PHE182 | -0.67 | 0.01 | -0.66 | 0.11 | -0.56 |
| 2zmm | ILE219 | -0.61 | 0.08 | -0.53 | -0.11 | -0.64 |
| 2zmm | MET258 | -0.73 | -0.10 | -0.83 | 0.50 | -0.32 |
| 2zmm | GLY259 | -0.50 | 0.01 | -0.49 | 0.15 | -0.34 |
| 2zmm | GLN262 | -1.91 | -1.43 | -3.34 | 2.61 | -0.73 |
