Binding information for 4cpt_ligand_1_8.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4cpt_ligand_1_8.mol2 | 4cpt | 1 | -6.34 | CC(C)(C)C | 5 |
Structure and binding mode of 4cpt_ligand_1_8.mol2(FDBF00007)
Important binding residues for 4cpt_ligand_1_8.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4cpt | ILE50 | -1.07 | 0.00 | -1.07 | 0.02 | -1.04 |
| 4cpt | ILE147 | -0.87 | 0.01 | -0.86 | -0.04 | -0.90 |
| 4cpt | GLY149 | -0.49 | 0.01 | -0.48 | 0.16 | -0.32 |
| 4cpt | VAL184 | -0.38 | 0.00 | -0.38 | -0.00 | -0.38 |
