Binding information for 4nuc_ligand_1_1.mol2(FDBF07070)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nuc_ligand_1_1.mol2 | 4nuc | 1 | -6.00 | c1(ccccc1)N=N | 8 |
Structure and binding mode of 4nuc_ligand_1_1.mol2(FDBF07070)
Important binding residues for 4nuc_ligand_1_1.mol2(FDBF07070)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nuc | TRP81 | -1.42 | -0.62 | -2.04 | 0.66 | -1.37 |
| 4nuc | PRO82 | -1.15 | -0.13 | -1.28 | 0.36 | -0.91 |
| 4nuc | VAL87 | -0.25 | -0.10 | -0.35 | 0.02 | -0.33 |
| 4nuc | LEU92 | -0.94 | 0.19 | -0.75 | -0.23 | -0.98 |
