Binding information for 4dld_ligand_frag_0.mol2(FDBF07567)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dld_ligand_frag_0.mol2 | 4dld | 0.794118 | -6.74 | c1c(c(ccc1)N(=O)=O)Cl | 10 |
Structure and binding mode of 4dld_ligand_frag_0.mol2(FDBF07567)
Important binding residues for 4dld_ligand_frag_0.mol2(FDBF07567)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dld | TYR61 | -1.33 | -0.44 | -1.77 | 0.54 | -1.23 |
| 4dld | PRO88 | -0.97 | -1.19 | -2.16 | 1.36 | -0.81 |
| 4dld | MET189 | -0.61 | -0.38 | -0.99 | 0.25 | -0.74 |
| 4dld | TYR216 | -0.71 | 0.20 | -0.51 | 0.01 | -0.50 |
