Binding information for 1xka_ligand_1_5.mol2(FDBF00372)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xka_ligand_1_5.mol2 | 1xka | 1 | -6.10 | Nc1ccncc1 | 7 |
Structure and binding mode of 1xka_ligand_1_5.mol2(FDBF00372)
Important binding residues for 1xka_ligand_1_5.mol2(FDBF00372)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xka | TYR99 | -0.94 | -0.50 | -1.44 | 0.94 | -0.50 |
| 1xka | TRP215 | -2.71 | 0.40 | -2.31 | 0.59 | -1.72 |
