Binding information for 3h0a_ligand_4_284.mol2(FDBF00314)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3h0a_ligand_4_284.mol2 | 3h0a | 0.846154 | -6.29 | OCc1cccc(OC)c1 | 10 |
Structure and binding mode of 3h0a_ligand_4_284.mol2(FDBF00314)
Important binding residues for 3h0a_ligand_4_284.mol2(FDBF00314)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3h0a | ILE281 | -1.15 | -0.26 | -1.41 | 0.17 | -1.24 |
| 3h0a | GLY284 | -0.76 | 0.48 | -0.28 | -0.05 | -0.33 |
| 3h0a | CYS285 | -1.79 | -0.06 | -1.85 | 0.03 | -1.82 |
| 3h0a | ARG288 | -0.56 | 0.20 | -0.36 | -0.15 | -0.51 |
| 3h0a | VAL339 | -0.59 | -0.03 | -0.62 | -0.10 | -0.73 |
| 3h0a | ILE341 | -1.49 | -0.38 | -1.87 | 0.13 | -1.73 |
| 3h0a | MET348 | -0.78 | 0.04 | -0.74 | 0.09 | -0.65 |
| 3h0a | MET364 | -0.70 | -0.25 | -0.95 | 0.07 | -0.87 |
