Binding information for 5akz_ligand_frag_0.mol2(FDBF00119)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5akz_ligand_frag_0.mol2 | 5akz | 1 | -5.73 | CNC(=O)N | 5 |
Structure and binding mode of 5akz_ligand_frag_0.mol2(FDBF00119)
Important binding residues for 5akz_ligand_frag_0.mol2(FDBF00119)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5akz | PHE267 | -0.65 | -0.28 | -0.93 | 0.51 | -0.42 |
| 5akz | TRP336 | -0.65 | -0.93 | -1.58 | 0.78 | -0.80 |
| 5akz | GLN384 | -0.28 | 0.81 | 0.53 | -1.13 | -0.60 |
| 5akz | VAL498 | -0.26 | 0.31 | 0.05 | -0.40 | -0.35 |
| 5akz | LEU499 | -0.38 | -0.44 | -0.82 | 0.51 | -0.32 |
