Binding information for 4dzy_ligand_frag_2.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dzy_ligand_frag_2.mol2 | 4dzy | 1 | -6.80 | c1ccccc1 | 6 |
Structure and binding mode of 4dzy_ligand_frag_2.mol2(FDBF00005)
Important binding residues for 4dzy_ligand_frag_2.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dzy | VAL125 | -0.69 | 0.16 | -0.53 | 0.03 | -0.50 |
| 4dzy | LEU128 | -1.58 | -0.50 | -2.08 | 0.19 | -1.89 |
| 4dzy | LEU129 | -0.91 | 0.11 | -0.8 | 0.11 | -0.69 |
| 4dzy | ILE170 | -0.94 | -0.11 | -1.05 | -0.03 | -1.08 |
| 4dzy | ALA174 | -0.41 | -0.04 | -0.45 | 0.03 | -0.41 |
