Binding information for 5ap4_ligand_1_0.mol2(FDBF06412)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ap4_ligand_1_0.mol2 | 5ap4 | 0.285714 | -4.98 | N#CCO | 4 |
Structure and binding mode of 5ap4_ligand_1_0.mol2(FDBF06412)
Important binding residues for 5ap4_ligand_1_0.mol2(FDBF06412)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5ap4 | ILE531 | -0.48 | -0.19 | -0.67 | 0.10 | -0.57 |
| 5ap4 | ASN606 | -0.16 | -4.01 | -4.17 | 3.47 | -0.70 |
| 5ap4 | ILE607 | -0.35 | -0.47 | -0.82 | 0.30 | -0.53 |
