Binding information for 4jt8_ligand_1_0.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jt8_ligand_1_0.mol2 | 4jt8 | 1 | -6.17 | CC(C)(C)C(=O)N | 7 |
Structure and binding mode of 4jt8_ligand_1_0.mol2(FDBF00026)
Important binding residues for 4jt8_ligand_1_0.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jt8 | PHE180 | -0.39 | -0.37 | -0.76 | 0.25 | -0.51 |
| 4jt8 | VAL292 | -0.53 | -2.40 | -2.93 | 1.82 | -1.12 |
| 4jt8 | PHE293 | -0.86 | -0.42 | -1.28 | 0.71 | -0.57 |
