Binding information for 1tcw_ligand_3_285.mol2(FDBF04192)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tcw_ligand_3_285.mol2 | 1tcw | 0.721311 | -6.73 | [C@@H](NC=O)(c1[nH+]cc[nH]1)C(C)C | 12 |
Structure and binding mode of 1tcw_ligand_3_285.mol2(FDBF04192)
Important binding residues for 1tcw_ligand_3_285.mol2(FDBF04192)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tcw | ALA28 | -1.32 | -1.30 | -2.62 | 0.89 | -1.73 |
| 1tcw | ASP29 | -1.38 | 2.70 | 1.32 | -2.67 | -1.35 |
| 1tcw | VAL47 | -1.12 | 0.61 | -0.51 | -0.37 | -0.89 |
| 1tcw | GLY48 | -0.79 | -2.48 | -3.27 | 2.34 | -0.93 |
| 1tcw | GLY49 | -0.69 | -0.35 | -1.04 | 0.37 | -0.68 |
| 1tcw | ILE50 | -1.13 | 0.41 | -0.72 | -0.18 | -0.89 |
