Binding information for 1zz2_ligand_frag_5.mol2(FDBF00378)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zz2_ligand_frag_5.mol2 | 1zz2 | 1 | -6.74 | c1ccc(cc1)F | 7 |
Structure and binding mode of 1zz2_ligand_frag_5.mol2(FDBF00378)
Important binding residues for 1zz2_ligand_frag_5.mol2(FDBF00378)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zz2 | VAL38 | -0.43 | 0.12 | -0.31 | -0.14 | -0.46 |
| 1zz2 | ALA51 | -0.57 | -0.11 | -0.68 | -0.00 | -0.68 |
| 1zz2 | VAL52 | -0.46 | -0.17 | -0.63 | 0.17 | -0.45 |
| 1zz2 | LYS53 | -1.43 | 0.39 | -1.04 | -0.51 | -1.56 |
| 1zz2 | LEU104 | -0.83 | -0.91 | -1.74 | 0.50 | -1.24 |
| 1zz2 | VAL105 | -0.77 | 0.54 | -0.23 | -0.33 | -0.55 |
| 1zz2 | THR106 | -1.28 | -0.25 | -1.53 | 0.19 | -1.34 |
| 1zz2 | LEU167 | -0.44 | 0.14 | -0.3 | -0.25 | -0.55 |
