Binding information for 1ta6_ligand_frag_1.mol2(FDBF00002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ta6_ligand_frag_1.mol2 | 1ta6 | 1 | -5.96 | C(=O)N1CCCC1 | 7 |
Structure and binding mode of 1ta6_ligand_frag_1.mol2(FDBF00002)
Important binding residues for 1ta6_ligand_frag_1.mol2(FDBF00002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ta6 | TYR60A | -1.15 | -0.54 | -1.69 | 1.03 | -0.66 |
| 1ta6 | TRP60D | -1.12 | -0.23 | -1.35 | 0.68 | -0.67 |
| 1ta6 | LEU99 | -0.76 | 0.12 | -0.64 | -0.17 | -0.80 |
| 1ta6 | TRP215 | -1.07 | -2.05 | -3.12 | 1.03 | -2.09 |
| 1ta6 | GLY216 | -0.36 | -0.39 | -0.75 | 0.09 | -0.66 |
