Binding information for 2gzl_ligand_frag_0.mol2(FDBF03589)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gzl_ligand_frag_0.mol2 | 2gzl | 1 | -5.09 | C=NC | 3 |
Structure and binding mode of 2gzl_ligand_frag_0.mol2(FDBF03589)
Important binding residues for 2gzl_ligand_frag_0.mol2(FDBF03589)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gzl | PHE68 | -0.64 | 0.41 | -0.23 | -0.26 | -0.48 |
| 2gzl | LEU76 | -0.92 | -0.49 | -1.41 | 0.37 | -1.03 |
