Binding information for 2psv_ligand_frag_12.mol2(FDBF01001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2psv_ligand_frag_12.mol2 | 2psv | 1 | -5.72 | c1occc1 | 5 |
Structure and binding mode of 2psv_ligand_frag_12.mol2(FDBF01001)
Important binding residues for 2psv_ligand_frag_12.mol2(FDBF01001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2psv | ILE50 | -0.61 | -0.02 | -0.63 | -0.02 | -0.65 |
| 2psv | ALA28 | -0.31 | -0.16 | -0.47 | -0.00 | -0.47 |
| 2psv | ILE47 | -0.65 | -0.14 | -0.79 | 0.07 | -0.72 |
