Binding information for 3cvk_ligand_1_3.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cvk_ligand_1_3.mol2 | 3cvk | 1 | -6.55 | CC(C)(C)C | 5 |
Structure and binding mode of 3cvk_ligand_1_3.mol2(FDBF00007)
Important binding residues for 3cvk_ligand_1_3.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cvk | PRO197 | -0.96 | -0.00 | -0.96 | 0.12 | -0.84 |
| 3cvk | ARG200 | -1.14 | 0.10 | -1.04 | 0.48 | -0.57 |
| 3cvk | CYS366 | -0.74 | -0.02 | -0.76 | 0.43 | -0.33 |
| 3cvk | LEU384 | -0.65 | 0.01 | -0.64 | 0.02 | -0.63 |
| 3cvk | MET414 | -0.82 | -0.03 | -0.85 | 0.47 | -0.38 |
| 3cvk | TYR415 | -0.88 | -0.01 | -0.89 | 0.44 | -0.46 |
