Binding information for 5alz_ligand_frag_2.mol2(FDBF00324)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5alz_ligand_frag_2.mol2 | 5alz | 1 | -7.67 | [C@@H]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 | 10 |
Structure and binding mode of 5alz_ligand_frag_2.mol2(FDBF00324)
Important binding residues for 5alz_ligand_frag_2.mol2(FDBF00324)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5alz | TYR383 | -1.59 | 0.11 | -1.48 | 1.11 | -0.38 |
| 5alz | LEU428 | -0.57 | 0.10 | -0.47 | 0.07 | -0.39 |
| 5alz | VAL498 | -0.76 | 0.01 | -0.75 | -0.33 | -1.08 |
