Binding information for 3cvk_ligand_2_5.mol2(FDBF00198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cvk_ligand_2_5.mol2 | 3cvk | 1 | -6.80 | C(C(C)(C)C)C | 6 |
Structure and binding mode of 3cvk_ligand_2_5.mol2(FDBF00198)
Important binding residues for 3cvk_ligand_2_5.mol2(FDBF00198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cvk | PRO197 | -0.99 | -0.01 | -1 | 0.13 | -0.87 |
| 3cvk | ARG200 | -1.17 | 0.02 | -1.15 | 0.56 | -0.59 |
| 3cvk | CYS366 | -0.98 | -0.04 | -1.02 | 0.65 | -0.37 |
| 3cvk | LEU384 | -0.62 | 0.00 | -0.62 | -0.00 | -0.62 |
| 3cvk | MET414 | -0.81 | -0.02 | -0.83 | 0.47 | -0.37 |
| 3cvk | TYR415 | -1.11 | -0.03 | -1.14 | 0.73 | -0.40 |
