Binding information for 4zh2_ligand_frag_1.mol2(FDBF00161)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zh2_ligand_frag_1.mol2 | 4zh2 | 1 | -6.45 | c1cc(ccc1)C[NH2+]O | 9 |
Structure and binding mode of 4zh2_ligand_frag_1.mol2(FDBF00161)
Important binding residues for 4zh2_ligand_frag_1.mol2(FDBF00161)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zh2 | GLU641 | -1.36 | -1.73 | -3.09 | 1.84 | -1.25 |
| 4zh2 | PRO750 | -0.41 | 0.13 | -0.28 | -0.05 | -0.33 |
| 4zh2 | ILE755 | -0.55 | -0.01 | -0.56 | -0.18 | -0.73 |
