Binding information for 2h3e_ligand_2_4.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2h3e_ligand_2_4.mol2 | 2h3e | 1 | -6.02 | C(=O)(NC)C | 5 |
Structure and binding mode of 2h3e_ligand_2_4.mol2(FDBF00027)
Important binding residues for 2h3e_ligand_2_4.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2h3e | ARG105 | 0.14 | -8.02 | -7.88 | 6.05 | -1.82 |
| 2h3e | HIS134 | -0.29 | -2.54 | -2.83 | 1.03 | -1.79 |
| 2h3e | THR168 | -0.39 | -0.07 | -0.46 | 0.10 | -0.37 |
| 2h3e | PRO266 | -0.83 | -0.21 | -1.04 | 0.57 | -0.47 |
| 2h3e | LEU267 | 0.37 | -3.87 | -3.5 | 2.99 | -0.51 |
| 2h3e | PRO268 | -0.51 | -0.48 | -0.99 | 0.16 | -0.83 |
