BACE1 compound 28. Determined by X-ray diffraction at 1.46 Å resolution. Released 18 Apr 2018.
Explore 6EJ2 in 3D Show helices and sheets RCSB PDB PDBe
6EJ2 contains 13 α-helices and 28 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 |
|---|---|---|---|
| β-strand | 415-418 | 4 | 1 |
| β-strand | 423-429 | 7 | 1 |
| β-strand | 434-441 | 8 | 1 |
| β-strand | 447-450 | 4 | 1 |
| α-helix | 463-465 | 3 | |
| β-strand | 470-480 | 11 | 1 |
| β-strand | 483-495 | 13 | 1 |
| β-strand | 504-515 | 12 | 1 |
| β-strand | 526-529 | 4 | 1 |
| α-helix | 533-535 | 3 | |
| α-helix | 545-552 | 8 | |
| β-strand | 559-565 | 7 | 1 |
| β-strand | 578-585 | 8 | 1 |
| α-helix | 590-592 | 3 | |
| β-strand | 593-601 | 9 | 1 |
| β-strand | 605 | 1 | 2 |
| β-strand | 608 | 1 | 2 |
| β-strand | 609-610 | 2 | 3 |
| β-strand | 612-617 | 6 | 4 |
| β-strand | 620-621 | 2 | 4 |
| α-helix | 626-630 | 5 | |
| β-strand | 634-636 | 3 | 3 |
| β-strand | 643-646 | 4 | 3 |
| α-helix | 647-660 | 14 | |
| α-helix | 668-671 | 4 | |
| β-strand | 677-679 | 3 | 5 |
| α-helix | 686-688 | 3 | |
| α-helix | 690-691 | 2 | |
| β-strand | 692-697 | 6 | 4 |
| β-strand | 703-709 | 7 | 4 |
| α-helix | 711-714 | 4 | |
| β-strand | 715-718 | 4 | 5 |
| β-strand | 727-731 | 5 | 5 |
| β-strand | 733-736 | 4 | 3 |
| β-strand | 740-742 | 3 | 3 |
| α-helix | 744-747 | 4 | |
| β-strand | 750-755 | 6 | 1 |
| α-helix | 756-758 | 3 | |
| β-strand | 760-766 | 7 | 1 |
| β-strand | 778-784 | 7 | 4 |
| α-helix | 788-791 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Beta-secretase 1 | A | protein | 501 | Homo sapiens | P56817 (AlphaFold model) |
>6EJ2_1 Beta-secretase 1 (chains A) MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC HVHDEFRTAAVEGPFVTDLMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW RCLRCLRQQHDDFADDISLLK
| ID | Name | Formula | Copies |
|---|---|---|---|
| B7E | compound 28 | C22 H26 N4 O2 | 1 |
Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity. Johansson, P., Kaspersson, K., Gurrell, I.K. et al. J Med Chem (2018) 61:3491-3502. DOI 10.1021/acs.jmedchem.7b01716 · 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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