Binding information for 1tu6_ligand_3_65.mol2(FDBF05635)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tu6_ligand_3_65.mol2 | 1tu6 | 0.533333 | -5.75 | CCNC(=O)OC | 7 |
Structure and binding mode of 1tu6_ligand_3_65.mol2(FDBF05635)
Important binding residues for 1tu6_ligand_3_65.mol2(FDBF05635)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tu6 | TRP140 | -1.00 | -1.32 | -2.32 | 1.04 | -1.27 |
| 1tu6 | GLY179 | -0.75 | -2.00 | -2.75 | 0.86 | -1.88 |
| 1tu6 | GLY180 | -0.69 | -1.13 | -1.82 | 1.08 | -0.74 |
| 1tu6 | ASN275 | -0.40 | -3.04 | -3.44 | 1.47 | -1.97 |
| 1tu6 | HIS276 | -0.94 | -0.40 | -1.34 | 0.49 | -0.84 |
| 1tu6 | ALA277 | -0.53 | 0.01 | -0.52 | 0.05 | -0.47 |
