Binding information for 4zh2_ligand_1_0.mol2(FDBF00167)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zh2_ligand_1_0.mol2 | 4zh2 | 0.780488 | -6.90 | FC(F)(F)c1cc(ccc1)C[NH2+]O | 13 |
Structure and binding mode of 4zh2_ligand_1_0.mol2(FDBF00167)
Important binding residues for 4zh2_ligand_1_0.mol2(FDBF00167)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zh2 | GLU641 | -1.38 | -3.03 | -4.41 | 3.05 | -1.36 |
| 4zh2 | ILE755 | -0.58 | 0.08 | -0.5 | -0.27 | -0.77 |
| 4zh2 | PHE773 | -0.64 | 0.30 | -0.34 | -0.18 | -0.51 |
| 4zh2 | ILE774 | -0.37 | 0.30 | -0.07 | -0.34 | -0.42 |
| 4zh2 | HIS777 | -0.54 | -0.15 | -0.69 | 0.31 | -0.37 |
