Binding information for 2ewp_ligand_3_85.mol2(FDBF02486)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ewp_ligand_3_85.mol2 | 2ewp | 0.857143 | -5.83 | C(CO)CC=C | 6 |
Structure and binding mode of 2ewp_ligand_3_85.mol2(FDBF02486)
Important binding residues for 2ewp_ligand_3_85.mol2(FDBF02486)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ewp | LEU268 | -0.77 | -0.23 | -1 | 0.09 | -0.91 |
| 2ewp | MET306 | -0.43 | 0.02 | -0.41 | 0.06 | -0.35 |
| 2ewp | ILE310 | -0.38 | 0.04 | -0.34 | -0.06 | -0.40 |
| 2ewp | LEU342 | -0.86 | -0.49 | -1.35 | 0.41 | -0.94 |
| 2ewp | LEU345 | -0.77 | 1.07 | 0.3 | -0.89 | -0.59 |
| 2ewp | ASN346 | 2.17 | -6.64 | -4.47 | 2.73 | -1.74 |
| 2ewp | ILE349 | -0.43 | -0.80 | -1.23 | 0.90 | -0.33 |
| 2ewp | ALA431 | -0.29 | 0.10 | -0.19 | -0.14 | -0.33 |
