Binding information for 1ta2_ligand_frag_4.mol2(FDBF00002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ta2_ligand_frag_4.mol2 | 1ta2 | 1 | -5.94 | C(=O)N1CCCC1 | 7 |
Structure and binding mode of 1ta2_ligand_frag_4.mol2(FDBF00002)
Important binding residues for 1ta2_ligand_frag_4.mol2(FDBF00002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ta2 | TYR60A | -0.88 | 0.61 | -0.27 | -0.09 | -0.37 |
| 1ta2 | TRP60D | -1.04 | -0.16 | -1.2 | 0.55 | -0.65 |
| 1ta2 | LEU99 | -0.50 | 0.13 | -0.37 | -0.17 | -0.54 |
| 1ta2 | TRP215 | -1.18 | -2.21 | -3.39 | 1.02 | -2.37 |
| 1ta2 | GLY216 | -0.01 | -1.06 | -1.07 | 0.45 | -0.61 |
