Binding information for 1wv7_ligand_4_1337.mol2(FDBF00706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wv7_ligand_4_1337.mol2 | 1wv7 | 0.515152 | -6.05 | CO[C@H]1CC[C@@H]2[C@H](C1)[C@@H](C[NH2+]2)CC | 13 |
Structure and binding mode of 1wv7_ligand_4_1337.mol2(FDBF00706)
Important binding residues for 1wv7_ligand_4_1337.mol2(FDBF00706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wv7 | SER170H | -1.27 | -0.80 | -2.07 | 0.69 | -1.38 |
| 1wv7 | PRO170I | -1.68 | 0.28 | -1.4 | -0.03 | -1.43 |
| 1wv7 | GLN217 | -1.18 | -3.61 | -4.79 | 4.06 | -0.73 |
