Binding information for 3chs_ligand_frag_4.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chs_ligand_frag_4.mol2 | 3chs | 1 | -6.78 | c1ccccc1 | 6 |
Structure and binding mode of 3chs_ligand_frag_4.mol2(FDBF00005)
Important binding residues for 3chs_ligand_frag_4.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chs | GLN136 | -1.20 | -0.89 | -2.09 | 0.67 | -1.42 |
| 3chs | ALA137 | -0.85 | -0.14 | -0.99 | 0.11 | -0.88 |
| 3chs | PHE314 | -0.79 | -0.08 | -0.87 | 0.51 | -0.36 |
| 3chs | PRO374 | -0.72 | -0.10 | -0.82 | 0.40 | -0.41 |
| 3chs | TYR378 | -1.42 | -0.37 | -1.79 | 0.50 | -1.29 |
