Binding information for 2y5k_ligand_1_4.mol2(FDBF00360)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y5k_ligand_1_4.mol2 | 2y5k | 1 | -5.75 | O(C)c1ccncc1 | 8 |
Structure and binding mode of 2y5k_ligand_1_4.mol2(FDBF00360)
Important binding residues for 2y5k_ligand_1_4.mol2(FDBF00360)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2y5k | GLY21 | -0.66 | 0.48 | -0.18 | -0.17 | -0.36 |
| 2y5k | ARG22 | -1.51 | 0.76 | -0.75 | -0.28 | -1.04 |
| 2y5k | THR27 | -0.24 | -0.99 | -1.23 | 0.92 | -0.31 |
