Binding information for 4z7h_ligand_3_3.mol2(FDBF01830)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4z7h_ligand_3_3.mol2 | 4z7h | 0.483221 | -8.75 | N(c1ccc2[n+](n1)c(c[nH]2)c1ccccc1)C(C)C | 19 |
Structure and binding mode of 4z7h_ligand_3_3.mol2(FDBF01830)
Important binding residues for 4z7h_ligand_3_3.mol2(FDBF01830)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4z7h | LEU577 | -2.83 | -0.99 | -3.82 | 1.69 | -2.13 |
| 4z7h | GLY578 | -0.69 | 0.41 | -0.28 | -0.05 | -0.33 |
| 4z7h | VAL586 | -0.79 | -0.52 | -1.31 | 0.00 | -1.30 |
| 4z7h | ALA597 | -0.90 | -0.35 | -1.25 | 0.27 | -0.97 |
| 4z7h | ILE626 | -0.68 | -0.39 | -1.07 | 0.60 | -0.47 |
| 4z7h | GLU643 | -0.24 | -0.77 | -1.01 | 0.64 | -0.38 |
| 4z7h | LEU644 | -1.07 | -1.05 | -2.12 | 0.52 | -1.60 |
| 4z7h | CYS645 | -0.65 | -2.18 | -2.83 | 2.09 | -0.74 |
| 4z7h | ALA647 | -0.69 | 0.51 | -0.18 | -0.75 | -0.93 |
| 4z7h | THR648 | -1.34 | 0.03 | -1.31 | -0.21 | -1.53 |
| 4z7h | LEU695 | -1.96 | -0.40 | -2.36 | 0.24 | -2.12 |
