Binding information for 1h3b_ligand_4_325.mol2(FDBF00796)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h3b_ligand_4_325.mol2 | 1h3b | 1 | -6.86 | C(Oc1ccccc1)CC | 10 |
Structure and binding mode of 1h3b_ligand_4_325.mol2(FDBF00796)
Important binding residues for 1h3b_ligand_4_325.mol2(FDBF00796)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h3b | TRP169 | -0.59 | -0.05 | -0.64 | 0.14 | -0.50 |
| 1h3b | ILE261 | -1.51 | -0.20 | -1.71 | -0.08 | -1.79 |
| 1h3b | PRO263 | -0.42 | 0.05 | -0.37 | -0.04 | -0.41 |
| 1h3b | ALA306 | -0.65 | 0.02 | -0.63 | 0.20 | -0.43 |
| 1h3b | SER307 | -0.59 | -0.16 | -0.75 | 0.25 | -0.51 |
| 1h3b | TRP489 | -0.67 | -0.03 | -0.7 | 0.26 | -0.44 |
| 1h3b | PHE605 | -0.74 | -0.15 | -0.89 | 0.26 | -0.63 |
| 1h3b | LEU607 | -0.67 | 0.60 | -0.07 | -0.52 | -0.58 |
