Binding information for 3chs_ligand_1_6.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chs_ligand_1_6.mol2 | 3chs | 1 | -5.64 | C(O)C | 3 |
Structure and binding mode of 3chs_ligand_1_6.mol2(FDBF00041)
Important binding residues for 3chs_ligand_1_6.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chs | TRP311 | -0.58 | -0.10 | -0.68 | 0.23 | -0.45 |
| 3chs | PHE314 | -0.72 | -0.11 | -0.83 | 0.15 | -0.67 |
| 3chs | LEU369 | -0.47 | 0.44 | -0.03 | -0.36 | -0.39 |
| 3chs | PRO374 | -0.32 | -3.00 | -3.32 | 1.96 | -1.35 |
| 3chs | ALA377 | -0.35 | -0.36 | -0.71 | -0.59 | -1.31 |
| 3chs | TYR378 | -0.80 | 0.71 | -0.09 | -0.32 | -0.42 |
