Binding information for 3hvh_ligand_2_11.mol2(FDBF05639)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hvh_ligand_2_11.mol2 | 3hvh | 1 | -5.47 | C(NC=O)C=C | 6 |
Structure and binding mode of 3hvh_ligand_2_11.mol2(FDBF05639)
Important binding residues for 3hvh_ligand_2_11.mol2(FDBF05639)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hvh | MET83 | -1.22 | -0.72 | -1.94 | 0.62 | -1.31 |
| 3hvh | ASP184 | -0.38 | -3.33 | -3.71 | 3.37 | -0.34 |
| 3hvh | HIS185 | -0.91 | -0.08 | -0.99 | -0.03 | -1.01 |
| 3hvh | ASN213 | -0.15 | -0.38 | -0.53 | -0.01 | -0.54 |
