7S5H: PCSK9(deltaCRD)

PCSK9(deltaCRD) in complex with cyclic peptide 35. Determined by X-ray diffraction at 1.27 Å resolution. Released 3 Nov 2021.

Method
X-ray diffraction
Resolution
1.27 Å
Organisms
Homo sapiens, synthetic construct
Chains
3
Atoms
2,702
Mol. weight
48.08 kDa
Ligands
89N
Released
3 Nov 2021

Explore 7S5H in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7S5H contains 13 α-helices and 22 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.

Chain A: 5 helices, 6 β-strands

ElementResiduesLengthSheet
β-strand63-6531
α-helix70-723
β-strand73-82101
α-helix831
α-helix88-10417
β-strand109-11571
β-strand121-12661
α-helix128-1303
α-helix131-1355
β-strand140-14781
β-strand148-15142
Chain B: 8 helices, 15 β-strands
ElementResiduesLengthSheet
β-strand181-18663
β-strand200-20673
α-helix216-2183
α-helix220-2234
α-helix225-23511
β-strand246-25163
β-strand258-26032
α-helix261-27616
β-strand283-28753
β-strand289-29242
α-helix295-30612
β-strand310-31453
β-strand32114
α-helix322-3243
β-strand325-32622
β-strand334-33963
β-strand34513
β-strand35514
β-strand361-36443
β-strand368-37145
β-strand379-38245
α-helix385-40218
α-helix408-41710
Chain C: 0 helices, 1 β-strand
ElementResiduesLengthSheet
β-strand4-525

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Pro-peptide from Proprotein convertase subtilisin/kexin type 9Aprotein122Homo sapiensQ8NBP7 (AlphaFold model)
Proprotein convertase subtilisin/kexin type 9Bprotein308Homo sapiensQ8NBP7 (AlphaFold model)
Z50-dnp-dal-phe-ftr-pro-thr-0A1-3WXCprotein9synthetic construct
Sequence of entity 1 (A), FASTA
>7S5H_1 Pro-peptide from Proprotein convertase subtilisin/kexin type 9 (chains A)
QEDEDGDYEELVLALRSEEDGLAEAPEHGTTATFHRCAKDPWRLPGTYVVVLKEETHLSQ
SERTARRLQAQAARRGYLTKILHVFHGLLPGFLVKMSGDLLELALKLPHVDYIEEDSSVF
AQ
Sequence of entity 2 (B), FASTA
>7S5H_2 Proprotein convertase subtilisin/kexin type 9 (chains B)
SIPWNLERITPPRYRADEYQPPDGGSLVEVYLLDTSIQSDHREIEGRVMVTDFENVPEED
GTRFHRQASKCDSHGTHLAGVVSGRDAGVAKGASMRSLRVLNCQGKGTVSGTLIGLEFIR
KSQLVQPVGPLVVLLPLAGGYSRVLNAACQRLARAGVVLVTAAGNFRDDACLYSPASAPE
VITVGATNAQDQPVTLGTLGTNFGRCVDLFAPGEDIIGASSDCSTCFVSQSGTSQAAAHV
AGIAAMMLSAEPELTLAELRQRLIHFSAKDVINEAWFPEDQRVLTPNLVAALPPSTHGAG
NSHHHHHH
Sequence of entity 3 (C), FASTA
>7S5H_3 Z50-DNP-DAL-PHE-FTR-PRO-THR-0A1-3WX (chains C)
XAAFWPTYX

Ligands and cofactors

IDNameFormulaCopies
89N(2E)-but-2-ene-1,4-diolC4 H8 O21

Primary citation

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:

Browse structure collections

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