Crystal Structure of Human BACE-1 in Complex with CNP520. Determined by X-ray diffraction at 1.35 Å resolution. Released 19 Sept 2018.
Explore 6EQM in 3D Show helices and sheets RCSB PDB PDBe
6EQM 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 | 6-9 | 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 |
| α-helix | 110 | 1 | |
| β-strand | 117-120 | 4 | 1 |
| α-helix | 124-126 | 3 | |
| α-helix | 136-143 | 8 | |
| β-strand | 150-155 | 6 | 1 |
| β-strand | 169-176 | 8 | 1 |
| α-helix | 181-183 | 3 | |
| β-strand | 184-192 | 9 | 1 |
| β-strand | 196 | 1 | 2 |
| β-strand | 199 | 1 | 2 |
| β-strand | 200-201 | 2 | 3 |
| β-strand | 203-208 | 6 | 4 |
| β-strand | 211-212 | 2 | 4 |
| α-helix | 217-221 | 5 | |
| β-strand | 225-227 | 3 | 3 |
| β-strand | 234-237 | 4 | 3 |
| α-helix | 238-251 | 14 | |
| α-helix | 259-262 | 4 | |
| β-strand | 268-271 | 4 | 5 |
| α-helix | 277-279 | 3 | |
| α-helix | 281-282 | 2 | |
| β-strand | 283-288 | 6 | 4 |
| β-strand | 294-300 | 7 | 4 |
| α-helix | 302-305 | 4 | |
| β-strand | 306-308 | 3 | 5 |
| α-helix | 312-314 | 3 | |
| β-strand | 317-322 | 6 | 5 |
| β-strand | 324-327 | 4 | 3 |
| β-strand | 331-333 | 3 | 3 |
| α-helix | 335-338 | 4 | |
| β-strand | 341-346 | 6 | 1 |
| β-strand | 351-357 | 7 | 1 |
| β-strand | 362 | 1 | 6 |
| β-strand | 367 | 1 | 6 |
| β-strand | 369-375 | 7 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Beta-secretase 1 | A | protein | 402 | Homo sapiens | P56817 (AlphaFold model) |
>6EQM_1 Beta-secretase 1 (chains A) GPDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAP HPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITE SDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQS EVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDK SIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVIS LYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVV FDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNI
| ID | Name | Formula | Copies |
|---|---|---|---|
| BUH | ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxaz… | C19 H15 Cl F7 N5 O2 | 1 |
The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease. Neumann, U., Ufer, M., Jacobson, L.H. et al. EMBO Mol Med (2018) 10. DOI 10.15252/emmm.201809316 · 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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