Binding information for 4jt8_ligand_3_0.mol2(FDBF00234)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jt8_ligand_3_0.mol2 | 4jt8 | 1 | -6.72 | C(C)NC(=O)C(C)(C)C | 9 |
Structure and binding mode of 4jt8_ligand_3_0.mol2(FDBF00234)
Important binding residues for 4jt8_ligand_3_0.mol2(FDBF00234)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jt8 | PHE180 | -1.33 | -0.42 | -1.75 | 0.48 | -1.28 |
| 4jt8 | ILE230 | -0.31 | -0.02 | -0.33 | 0.02 | -0.32 |
| 4jt8 | VAL292 | -0.87 | -2.10 | -2.97 | 1.98 | -0.98 |
| 4jt8 | PHE293 | -1.11 | -0.44 | -1.55 | 0.76 | -0.80 |
