Binding information for 2h3e_ligand_1_2.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2h3e_ligand_1_2.mol2 | 2h3e | 1 | -5.63 | C(=O)NC | 4 |
Structure and binding mode of 2h3e_ligand_1_2.mol2(FDBF00024)
Important binding residues for 2h3e_ligand_1_2.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2h3e | ARG105 | 0.31 | -7.86 | -7.55 | 5.32 | -2.23 |
| 2h3e | HIS134 | -0.26 | -2.44 | -2.7 | 0.96 | -1.74 |
| 2h3e | THR168 | -0.38 | -0.06 | -0.44 | 0.09 | -0.36 |
| 2h3e | PRO266 | -0.68 | -0.15 | -0.83 | 0.44 | -0.38 |
| 2h3e | LEU267 | 0.60 | -4.18 | -3.58 | 3.05 | -0.52 |
| 2h3e | PRO268 | -0.31 | -0.52 | -0.83 | 0.31 | -0.53 |
