Binding information for 3fhe_ligand_frag_2.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fhe_ligand_frag_2.mol2 | 3fhe | 1 | -6.83 | c1ccccc1 | 6 |
Structure and binding mode of 3fhe_ligand_frag_2.mol2(FDBF00005)
Important binding residues for 3fhe_ligand_frag_2.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fhe | GLN136 | -0.83 | -0.28 | -1.11 | 0.18 | -0.94 |
| 3fhe | ALA137 | -0.65 | -0.34 | -0.99 | 0.11 | -0.88 |
| 3fhe | TRP311 | -1.06 | 0.08 | -0.98 | 0.43 | -0.55 |
| 3fhe | PHE314 | -1.31 | 0.27 | -1.04 | 0.48 | -0.56 |
| 3fhe | ALA377 | -0.14 | 0.11 | -0.03 | -0.27 | -0.31 |
| 3fhe | TYR378 | -1.14 | -0.47 | -1.61 | 0.44 | -1.17 |
