Binding information for 4jt8_ligand_2_0.mol2(FDBF00031)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jt8_ligand_2_0.mol2 | 4jt8 | 1 | -6.38 | CNC(=O)C(C)(C)C | 8 |
Structure and binding mode of 4jt8_ligand_2_0.mol2(FDBF00031)
Important binding residues for 4jt8_ligand_2_0.mol2(FDBF00031)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jt8 | PHE180 | -1.01 | -0.41 | -1.42 | 0.37 | -1.06 |
| 4jt8 | VAL292 | -0.68 | -2.20 | -2.88 | 1.96 | -0.91 |
| 4jt8 | PHE293 | -1.05 | -0.48 | -1.53 | 0.75 | -0.78 |
