Crystal Structure of BACE with Compound 14g. Determined by X-ray diffraction at 1.56 Å resolution. Released 3 Oct 2012.
Explore 4FM7 in 3D Show helices and sheets RCSB PDB PDBe
4FM7 contains 15 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 |
|---|---|---|---|
| α-helix | 0-2 | 3 | |
| β-strand | 6-9 | 4 | 1 |
| β-strand | 15-20 | 6 | 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 |
| α-helix | 167-168 | 2 | |
| 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 | 1 | 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 |
| 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 | 369-375 | 7 | 4 |
| α-helix | 379-381 | 3 | |
| α-helix | 390-394 | 5 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Beta-secretase 1 | A | protein | 404 | Homo sapiens | P56817 (AlphaFold model) |
>4FM7_1 Beta-secretase 1 (chains A) GSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQL SSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWE GILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMII GGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRL PKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSF RITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAV SACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESRSHHHHHH
| ID | Name | Formula | Copies |
|---|---|---|---|
| 0UP | 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspir… | C24 H32 F N3 O4 S | 1 |
| ZN | Zinc ion | Zn | 2 |
Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. Brodney, M.A., Barreiro, G., Ogilvie, K. et al. J Med Chem (2012) 55:9224-9239. DOI 10.1021/jm3009426 · PubMed
Other PDB entries of the same protein (UniProt P56817 (AlphaFold model), which also has an AlphaFold model), best resolution first:
MolViewer shows 4FM7 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.