Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4. Determined by X-ray diffraction at 1.54 Å resolution. Released 6 Jun 2018.
Explore 6FGY in 3D Show helices and sheets RCSB PDB PDBe
6FGY contains 13 α-helices and 30 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 48-50 | 3 | |
| β-strand | 54-57 | 4 | 1 |
| β-strand | 61-68 | 8 | 1 |
| β-strand | 73-80 | 8 | 1 |
| β-strand | 86-89 | 4 | 1 |
| α-helix | 102-104 | 3 | |
| β-strand | 109-118 | 10 | 1 |
| β-strand | 123-134 | 12 | 1 |
| β-strand | 142-154 | 13 | 1 |
| β-strand | 165-168 | 4 | 1 |
| α-helix | 172-174 | 3 | |
| α-helix | 184-192 | 9 | |
| β-strand | 198-203 | 6 | 1 |
| β-strand | 218-224 | 7 | 1 |
| α-helix | 229-231 | 3 | |
| β-strand | 232-240 | 9 | 1 |
| β-strand | 244 | 1 | 2 |
| β-strand | 247 | 1 | 2 |
| β-strand | 248-249 | 2 | 3 |
| β-strand | 251-256 | 6 | 4 |
| β-strand | 259-260 | 2 | 4 |
| α-helix | 265-269 | 5 | |
| β-strand | 273-275 | 3 | 3 |
| β-strand | 282-285 | 4 | 3 |
| α-helix | 286-299 | 14 | |
| α-helix | 307-310 | 4 | |
| β-strand | 316-319 | 4 | 5 |
| α-helix | 325-327 | 3 | |
| α-helix | 329-330 | 2 | |
| β-strand | 331-336 | 6 | 4 |
| β-strand | 342-348 | 7 | 4 |
| α-helix | 350-353 | 4 | |
| β-strand | 354-356 | 3 | 5 |
| α-helix | 360-362 | 3 | |
| β-strand | 365-370 | 6 | 5 |
| β-strand | 372-375 | 4 | 3 |
| β-strand | 379-381 | 3 | 3 |
| α-helix | 383-386 | 4 | |
| β-strand | 389-394 | 6 | 1 |
| β-strand | 399-405 | 7 | 1 |
| β-strand | 410 | 1 | 6 |
| β-strand | 415 | 1 | 6 |
| β-strand | 417-423 | 7 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Beta-secretase 1 | A | protein | 396 | Homo sapiens | P56817 (AlphaFold model) |
>6FGY_1 Beta-secretase 1 (chains A) GPFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQL SSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWE GILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMII GGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRL PKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSF RITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAV SACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES
| ID | Name | Formula | Copies |
|---|---|---|---|
| D9W | ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-broman… | C17 H17 Br N4 O2 | 1 |
Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors. Veenstra, S.J., Rueeger, H., Voegtle, M. et al. Bioorg Med Chem Lett (2018) 28:2195-2200. DOI 10.1016/j.bmcl.2018.05.003 · PubMed
Other PDB entries of the same protein (UniProt P56817 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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