Binding information for 1jak_ligand_frag_2.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jak_ligand_frag_2.mol2 | 1jak | 1 | -5.94 | C(=O)(N)C | 4 |
Structure and binding mode of 1jak_ligand_frag_2.mol2(FDBF00015)
Important binding residues for 1jak_ligand_frag_2.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1jak | TRP344 | -1.12 | -0.12 | -1.24 | 0.15 | -1.08 |
| 1jak | TRP361 | -1.65 | 1.62 | -0.03 | -0.91 | -0.94 |
| 1jak | TRP442 | -1.13 | -0.57 | -1.7 | 0.85 | -0.86 |
