Binding information for 1tu6_ligand_2_17.mol2(FDBF01132)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tu6_ligand_2_17.mol2 | 1tu6 | 1 | -5.68 | CCNC(=O)O | 6 |
Structure and binding mode of 1tu6_ligand_2_17.mol2(FDBF01132)
Important binding residues for 1tu6_ligand_2_17.mol2(FDBF01132)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tu6 | SER138 | -0.19 | -0.21 | -0.4 | 0.07 | -0.33 |
| 1tu6 | TRP140 | -0.81 | -4.87 | -5.68 | 4.31 | -1.37 |
| 1tu6 | GLY178 | -0.22 | 0.29 | 0.07 | -0.39 | -0.32 |
| 1tu6 | GLY179 | -0.71 | -6.53 | -7.24 | 4.29 | -2.95 |
| 1tu6 | GLY180 | -0.54 | 1.79 | 1.25 | -2.17 | -0.91 |
| 1tu6 | ASN275 | -0.50 | 0.42 | -0.08 | -1.09 | -1.17 |
| 1tu6 | HIS276 | -0.85 | 0.94 | 0.09 | -0.91 | -0.81 |
| 1tu6 | ALA277 | -0.39 | -0.19 | -0.58 | 0.27 | -0.31 |
| 1tu6 | GLY134 | -0.24 | -1.45 | -1.69 | 1.27 | -0.42 |
