Binding information for 1h35_ligand_3_31.mol2(FDBF00388)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h35_ligand_3_31.mol2 | 1h35 | 0.676471 | -6.70 | C[NH+](C)Cc1ccccc1 | 10 |
Structure and binding mode of 1h35_ligand_3_31.mol2(FDBF00388)
Important binding residues for 1h35_ligand_3_31.mol2(FDBF00388)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h35 | PHE365 | -1.84 | 0.17 | -1.67 | 0.35 | -1.33 |
| 1h35 | TRP489 | -2.19 | -2.45 | -4.64 | 2.98 | -1.65 |
| 1h35 | LEU607 | -0.37 | -13.98 | -14.35 | 13.92 | -0.42 |
