Binding information for 1uwh_ligand_1_3.mol2(FDBF00867)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uwh_ligand_1_3.mol2 | 1uwh | 1 | -6.15 | Oc1ccncc1 | 7 |
Structure and binding mode of 1uwh_ligand_1_3.mol2(FDBF00867)
Important binding residues for 1uwh_ligand_1_3.mol2(FDBF00867)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uwh | VAL470 | -0.43 | 0.04 | -0.39 | -0.19 | -0.57 |
| 1uwh | ALA480 | -0.83 | -0.16 | -0.99 | -0.04 | -1.02 |
| 1uwh | LEU513 | -0.60 | 0.09 | -0.51 | -0.02 | -0.53 |
| 1uwh | TRP530 | -1.80 | -0.54 | -2.34 | 0.61 | -1.73 |
| 1uwh | CYS531 | 0.01 | -1.59 | -1.58 | 0.91 | -0.67 |
| 1uwh | PHE594 | -1.01 | -0.06 | -1.07 | 0.19 | -0.87 |
