Binding information for 1dth_ligand_frag_11.mol2(FDBF00656)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dth_ligand_frag_11.mol2 | 1dth | 0.464286 | -5.98 | c1cccs1 | 5 |
Structure and binding mode of 1dth_ligand_frag_11.mol2(FDBF00656)
Important binding residues for 1dth_ligand_frag_11.mol2(FDBF00656)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dth | VAL138 | -0.56 | -0.12 | -0.68 | 0.09 | -0.59 |
| 1dth | LEU163 | -0.82 | -0.09 | -0.91 | 0.15 | -0.76 |
| 1dth | LEU170 | -0.28 | -0.44 | -0.72 | 0.21 | -0.51 |
