Binding information for 1wv7_ligand_3_442.mol2(FDBF00706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wv7_ligand_3_442.mol2 | 1wv7 | 0.515152 | -5.97 | CO[C@H]1CC[C@@H]2[C@H](C1)[C@@H](C[NH2+]2)C | 12 |
Structure and binding mode of 1wv7_ligand_3_442.mol2(FDBF00706)
Important binding residues for 1wv7_ligand_3_442.mol2(FDBF00706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wv7 | SER170H | -1.26 | -0.82 | -2.08 | 0.70 | -1.37 |
| 1wv7 | PRO170I | -1.59 | 0.28 | -1.31 | -0.06 | -1.37 |
| 1wv7 | TRP215 | -0.77 | 0.18 | -0.59 | 0.24 | -0.35 |
| 1wv7 | GLN217 | -1.11 | -3.65 | -4.76 | 4.04 | -0.72 |
