Binding information for 2wkz_ligand_3_215.mol2(FDBF01907)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wkz_ligand_3_215.mol2 | 2wkz | 0.363636 | -5.31 | [NH+](NC=O)(C)C | 6 |
Structure and binding mode of 2wkz_ligand_3_215.mol2(FDBF01907)
Important binding residues for 2wkz_ligand_3_215.mol2(FDBF01907)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wkz | LEU23 | -0.24 | -18.26 | -18.5 | 18.15 | -0.36 |
| 2wkz | ILE50 | -0.46 | -0.00 | -0.46 | -0.11 | -0.58 |
| 2wkz | ILE84 | -0.43 | 0.99 | 0.56 | -1.07 | -0.51 |
| 2wkz | GLY127 | -0.75 | -2.71 | -3.46 | 2.68 | -0.78 |
| 2wkz | ALA128 | -0.62 | 1.38 | 0.76 | -1.20 | -0.45 |
| 2wkz | ILE150 | -0.40 | 1.45 | 1.05 | -1.42 | -0.37 |
