Binding information for 3chs_ligand_1_4.mol2(FDBF00006)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chs_ligand_1_4.mol2 | 3chs | 1 | -6.79 | Oc1ccccc1 | 7 |
Structure and binding mode of 3chs_ligand_1_4.mol2(FDBF00006)
Important binding residues for 3chs_ligand_1_4.mol2(FDBF00006)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chs | GLN136 | -1.22 | -0.79 | -2.01 | 0.61 | -1.40 |
| 3chs | ALA137 | -0.94 | -0.33 | -1.27 | 0.29 | -0.98 |
| 3chs | TRP311 | -0.69 | -0.13 | -0.82 | 0.47 | -0.35 |
| 3chs | PHE314 | -0.88 | -0.25 | -1.13 | 0.62 | -0.51 |
| 3chs | PRO374 | -0.85 | 0.50 | -0.35 | 0.03 | -0.32 |
| 3chs | TYR378 | -1.58 | -0.30 | -1.88 | 0.44 | -1.44 |
