Crystal Structure of Human Beta Secretase in Complex with NVP-AVI326. Determined by X-ray diffraction at 1.52 Å resolution. Released 21 Nov 2012.
Explore 3VEU in 3D Show helices and sheets RCSB PDB PDBe
3VEU 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 | -1-2 | 4 | |
| β-strand | 6-9 | 4 | 1 |
| β-strand | 13-20 | 8 | 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 | 163-167 | 5 | 1 |
| α-helix | 172-174 | 3 | |
| β-strand | 175-183 | 9 | 1 |
| β-strand | 187 | 1 | 2 |
| β-strand | 190 | 1 | 2 |
| β-strand | 191-192 | 2 | 3 |
| β-strand | 194-199 | 6 | 4 |
| β-strand | 202-203 | 2 | 4 |
| α-helix | 208-212 | 5 | |
| β-strand | 216-218 | 3 | 3 |
| β-strand | 225-228 | 4 | 3 |
| α-helix | 229-242 | 14 | |
| β-strand | 259-262 | 4 | 5 |
| α-helix | 268-270 | 3 | |
| α-helix | 272-273 | 2 | |
| β-strand | 274-279 | 6 | 4 |
| β-strand | 285-291 | 7 | 4 |
| α-helix | 293-296 | 4 | |
| β-strand | 297-299 | 3 | 5 |
| α-helix | 300 | 1 | |
| α-helix | 303-305 | 3 | |
| β-strand | 308-313 | 6 | 5 |
| β-strand | 315-318 | 4 | 3 |
| β-strand | 322-324 | 3 | 3 |
| α-helix | 326-329 | 4 | |
| β-strand | 332-337 | 6 | 1 |
| β-strand | 342-348 | 7 | 1 |
| β-strand | 353 | 1 | 6 |
| β-strand | 358 | 1 | 6 |
| β-strand | 360-366 | 7 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Beta-secretase 1 | A | protein | 402 | Homo sapiens | P56817 (AlphaFold model) |
>3VEU_1 Beta-secretase 1 (chains A) GPDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAP HPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITE SDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQS EVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDK SIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVIS LYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVV FDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNI
| ID | Name | Formula | Copies |
|---|---|---|---|
| 0GO | (2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-… | C33 H48 N4 O3 | 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:
MolViewer shows 3VEU directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.