PCSK9 in complex with compound 19. Determined by X-ray diffraction at 2.04 Å resolution. Released 3 Nov 2021.
Explore 7S5G in 3D Show helices and sheets RCSB PDB PDBe
7S5G contains 15 α-helices and 28 β-strands across 3 chains. 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 | 63-65 | 3 | 1 |
| α-helix | 70-72 | 3 | |
| β-strand | 73-82 | 10 | 1 |
| α-helix | 88-104 | 17 | |
| β-strand | 110-115 | 6 | 1 |
| β-strand | 121-125 | 5 | 1 |
| α-helix | 128-130 | 3 | |
| α-helix | 131-135 | 5 | |
| β-strand | 140-147 | 8 | 1 |
| β-strand | 148-151 | 4 | 2 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 156-160 | 5 | |
| β-strand | 181-186 | 6 | 3 |
| β-strand | 200-206 | 7 | 3 |
| α-helix | 209-212 | 4 | |
| α-helix | 220-223 | 4 | |
| α-helix | 225-235 | 11 | |
| β-strand | 246-251 | 6 | 3 |
| β-strand | 258-260 | 3 | 2 |
| α-helix | 261-277 | 17 | |
| β-strand | 283-287 | 5 | 3 |
| β-strand | 289-290 | 2 | 2 |
| β-strand | 291-292 | 2 | 4 |
| α-helix | 295-306 | 12 | |
| β-strand | 310-314 | 5 | 3 |
| β-strand | 318 | 1 | 5 |
| β-strand | 321 | 1 | 6 |
| α-helix | 322-324 | 3 | |
| β-strand | 325-326 | 2 | 4 |
| β-strand | 334-339 | 6 | 3 |
| β-strand | 345 | 1 | 3 |
| β-strand | 347-348 | 2 | 5 |
| β-strand | 351-352 | 2 | 5 |
| β-strand | 355 | 1 | 6 |
| β-strand | 361-364 | 4 | 3 |
| β-strand | 368-371 | 4 | 7 |
| β-strand | 379-382 | 4 | 7 |
| α-helix | 385-402 | 18 | |
| α-helix | 408-418 | 11 | |
| β-strand | 420-421 | 2 | 3 |
| α-helix | 426-428 | 3 | |
| α-helix | 433-436 | 4 | |
| β-strand | 440-441 | 2 | 3 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 4-5 | 2 | 7 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Propeptide of Proprotein convertase subtilisin/kexin type 9 | A | protein | 122 | Homo sapiens | Q8NBP7 (AlphaFold model) |
| Proprotein convertase subtilisin/kexin type 9 | B | protein | 308 | Homo sapiens | Q8NBP7 (AlphaFold model) |
| Z9J-ala-dal-phe-ftr-pro-thr-0A1-3WX | C | protein | 9 | synthetic construct |
>7S5G_1 Propeptide of Proprotein convertase subtilisin/kexin type 9 (chains A) QEDEDGDYEELVLALRSEEDGLAEAPEHGTTATFHRCAKDPWRLPGTYVVVLKEETHLSQ SERTARRLQAQAARRGYLTKILHVFHGLLPGFLVKMSGDLLELALKLPHVDYIEEDSSVF AQ
>7S5G_2 Proprotein convertase subtilisin/kexin type 9 (chains B) SIPWNLERITPPRYRADEYQPPDGGSLVEVYLLDTSIQSDHREIEGRVMVTDFENVPEED GTRFHRQASKCDSHGTHLAGVVSGRDAGVAKGASMRSLRVLNCQGKGTVSGTLIGLEFIR KSQLVQPVGPLVVLLPLAGGYSRVLNAACQRLARAGVVLVTAAGNFRDDACLYSPASAPE VITVGATNAQDQPVTLGTLGTNFGRCVDLFAPGEDIIGASSDCSTCFVSQSGTSQAAAHV AGIAAMMLSAEPELTLAELRQRLIHFSAKDVINEAWFPEDQRVLTPNLVAALPPSTHGAG NSHHHHHH
>7S5G_3 Z9J-ALA-DAL-PHE-FTR-PRO-THR-0A1-3WX (chains C) XAAFWPTYX
| ID | Name | Formula | Copies |
|---|---|---|---|
| 89N | (2E)-but-2-ene-1,4-diol | C4 H8 O2 | 1 |
Water and common crystallization additives (GOL) are not listed.
A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors. Tucker, T.J., Embrey, M.W., Alleyne, C. et al. J Med Chem (2021) 64:16770-16800. DOI 10.1021/acs.jmedchem.1c01599 · PubMed
Other PDB entries of the same protein (UniProt Q8NBP7 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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