Binding information for 2h5d_ligand_frag_6.mol2(FDBF00002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2h5d_ligand_frag_6.mol2 | 2h5d | 1 | -5.96 | C(=O)N1CCCC1 | 7 |
Structure and binding mode of 2h5d_ligand_frag_6.mol2(FDBF00002)
Important binding residues for 2h5d_ligand_frag_6.mol2(FDBF00002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2h5d | TYR171 | -2.41 | -1.41 | -3.82 | 2.58 | -1.25 |
| 2h5d | GLY215 | -0.58 | -2.39 | -2.97 | 1.16 | -1.82 |
| 2h5d | GLY216 | -0.32 | -0.92 | -1.24 | 0.33 | -0.90 |
| 2h5d | VAL218 | -0.27 | -0.33 | -0.6 | 0.22 | -0.38 |
