Binding information for 2rku_ligand_2_13.mol2(FDBF00571)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rku_ligand_2_13.mol2 | 2rku | 1 | -6.27 | c1(ccccc1OC)N | 9 |
Structure and binding mode of 2rku_ligand_2_13.mol2(FDBF00571)
Important binding residues for 2rku_ligand_2_13.mol2(FDBF00571)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2rku | LEU59 | -1.99 | -0.71 | -2.7 | 0.71 | -1.99 |
| 2rku | LEU132 | -1.08 | 0.00 | -1.08 | 0.05 | -1.03 |
| 2rku | ARG134 | -1.13 | 0.34 | -0.79 | 0.17 | -0.61 |
| 2rku | ARG136 | -2.02 | -1.40 | -3.42 | 1.41 | -2.00 |
