Binding information for 5ap1_ligand_1_0.mol2(FDBF07652)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ap1_ligand_1_0.mol2 | 5ap1 | 1 | -5.01 | OCC#N | 4 |
Structure and binding mode of 5ap1_ligand_1_0.mol2(FDBF07652)
Important binding residues for 5ap1_ligand_1_0.mol2(FDBF07652)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5ap1 | LYS529 | -0.49 | -3.35 | -3.84 | 3.41 | -0.43 |
| 5ap1 | ILE531 | -0.56 | -0.18 | -0.74 | 0.11 | -0.63 |
| 5ap1 | ASN606 | -0.32 | -2.95 | -3.27 | 2.70 | -0.57 |
| 5ap1 | ILE607 | -0.44 | -0.65 | -1.09 | 0.36 | -0.74 |
