Crystal Structure of Human Beta Secretase in Complex with NVP-BQQ711. Determined by X-ray diffraction at 1.48 Å resolution. Released 21 Nov 2012.
Explore 3VF3 in 3D Show helices and sheets RCSB PDB PDBe
3VF3 contains 14 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 | -1-2 | 4 | |
| β-strand | 6-8 | 3 | 1 |
| β-strand | 14-20 | 7 | 1 |
| β-strand | 25-32 | 8 | 1 |
| β-strand | 38-41 | 4 | 1 |
| α-helix | 54-56 | 3 | |
| β-strand | 61-70 | 10 | 1 |
| β-strand | 75-86 | 12 | 1 |
| β-strand | 94-106 | 13 | 1 |
| β-strand | 117-120 | 4 | 1 |
| α-helix | 124-126 | 3 | |
| α-helix | 136-143 | 8 | |
| β-strand | 150-154 | 5 | 1 |
| β-strand | 159-163 | 5 | 1 |
| α-helix | 168-170 | 3 | |
| β-strand | 171-179 | 9 | 1 |
| β-strand | 183 | 1 | 2 |
| β-strand | 186 | 1 | 2 |
| β-strand | 187-188 | 2 | 3 |
| β-strand | 190-195 | 6 | 4 |
| β-strand | 198-199 | 2 | 4 |
| α-helix | 204-208 | 5 | |
| β-strand | 212-214 | 3 | 3 |
| β-strand | 221-224 | 4 | 3 |
| α-helix | 225-238 | 14 | |
| α-helix | 248-250 | 3 | |
| β-strand | 255-258 | 4 | 5 |
| α-helix | 264-266 | 3 | |
| α-helix | 268-269 | 2 | |
| β-strand | 270-275 | 6 | 4 |
| β-strand | 281-287 | 7 | 4 |
| α-helix | 289-292 | 4 | |
| β-strand | 293-295 | 3 | 5 |
| α-helix | 299-301 | 3 | |
| β-strand | 304-309 | 6 | 5 |
| β-strand | 311-314 | 4 | 3 |
| β-strand | 318-320 | 3 | 3 |
| α-helix | 322-325 | 4 | |
| β-strand | 328-333 | 6 | 1 |
| α-helix | 334-336 | 3 | |
| β-strand | 338-344 | 7 | 1 |
| β-strand | 349 | 1 | 6 |
| β-strand | 354 | 1 | 6 |
| β-strand | 356-362 | 7 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Beta-secretase 1 | A | protein | 402 | Homo sapiens | P56817 (AlphaFold model) |
>3VF3_1 Beta-secretase 1 (chains A) GPDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAP HPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITE SDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQS EVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDK SIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVIS LYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVV FDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNI
| ID | Name | Formula | Copies |
|---|---|---|---|
| 0GS | (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]a… | C21 H24 Br F3 N2 O3 S | 1 |
Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides. Rueeger, H., Lueoend, R., Rogel, O. et al. J Med Chem (2012) 55:3364-3386. DOI 10.1021/jm300069y · 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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