Binding information for 1tcw_ligand_2_76.mol2(FDBF00034)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tcw_ligand_2_76.mol2 | 1tcw | 1 | -6.18 | C(NC=O)C(C)C | 7 |
Structure and binding mode of 1tcw_ligand_2_76.mol2(FDBF00034)
Important binding residues for 1tcw_ligand_2_76.mol2(FDBF00034)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tcw | ALA28 | -0.81 | -1.33 | -2.14 | 0.65 | -1.48 |
| 1tcw | ASP29 | -1.29 | 2.10 | 0.81 | -2.31 | -1.50 |
| 1tcw | VAL47 | -0.99 | 0.51 | -0.48 | -0.42 | -0.90 |
| 1tcw | GLY48 | -0.41 | -2.51 | -2.92 | 2.28 | -0.63 |
| 1tcw | ILE50 | -0.50 | 0.02 | -0.48 | -0.05 | -0.54 |
