Binding information for 4jnc_ligand_1_0.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jnc_ligand_1_0.mol2 | 4jnc | 1 | -5.49 | N(C=O)C | 4 |
Structure and binding mode of 4jnc_ligand_1_0.mol2(FDBF00024)
Important binding residues for 4jnc_ligand_1_0.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jnc | PHE267 | -0.84 | -0.33 | -1.17 | 0.71 | -0.46 |
| 4jnc | TRP336 | -0.46 | -0.20 | -0.66 | 0.09 | -0.57 |
