Binding information for 2wkz_ligand_1_12.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wkz_ligand_1_12.mol2 | 2wkz | 1 | -6.43 | CC(C)(C)C | 5 |
Structure and binding mode of 2wkz_ligand_1_12.mol2(FDBF00012)
Important binding residues for 2wkz_ligand_1_12.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wkz | ILE50 | -0.55 | -0.00 | -0.55 | 0.02 | -0.54 |
| 2wkz | ILE147 | -0.93 | 0.01 | -0.92 | -0.01 | -0.93 |
| 2wkz | ILE184 | -0.65 | 0.01 | -0.64 | -0.03 | -0.68 |
