Binding information for 4np3_ligand_1_1.mol2(FDBF01113)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4np3_ligand_1_1.mol2 | 4np3 | 1 | -5.46 | Cc1[nH+]c[nH]c1C | 7 |
Structure and binding mode of 4np3_ligand_1_1.mol2(FDBF01113)
Important binding residues for 4np3_ligand_1_1.mol2(FDBF01113)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4np3 | ARG82 | -1.73 | 0.27 | -1.46 | -0.02 | -1.48 |
