Cyclic Peptide DataBank (CPDB)

Summary

PDB ID	7S5H Go to RCSB ➚
Title	PCSK9(deltaCRD) in complex with cyclic peptide 35
Method	X-RAY DIFFRACTION
Resolution	1.27 Å
R-factors	R-work: 0.206, R-free: 0.209
Release Date	2021-11-03
Authors	Orth, P.
Source Organism	Homo sapiens, synthetic construct
Expression Host	Spodoptera frugiperda
Gene Names	NARC1, PCSK9, PSEC0052
Keywords	Cholesterol, LDL Receptor, EGFA Domain, PROTEIN BINDING, HYDROLASE
EC Number	3.4.21
Molecular Weight	48.08 kDa
Entity Count	Protein: 3, Nucleic Acid: 0, NA Hybrid: 0
Space Group	P 21 21 21
Cell Parameters	a=44.25 Å, b=72.49 Å, c=105.11 Å, α=90.00°, β=90.00°, γ=90.00°
Other Links	Yes
Peptide Chains	C
Protein Chains	A, B
Peptide Lengths	9
Protein Lengths	122, 308

Sequence Information

Chain: A - Pro-peptide from Proprotein convertase subtilisin/kexin type 9 (Length: 122)

1	QEDEDGDYEE LVLALRSEED GLAEAPEHGT TATFHRCAKD PWRLPGTYVV VLKEETHLSQ
61	SERTARRLQA QAARRGYLTK ILHVFHGLLP GFLVKMSGDL LELALKLPHV DYIEEDSSVF
121	AQ

Chain: B - Proprotein convertase subtilisin/kexin type 9 (Length: 308)

1	SIPWNLERIT PPRYRADEYQ PPDGGSLVEV YLLDTSIQSD HREIEGRVMV TDFENVPEED
61	GTRFHRQASK CDSHGTHLAG VVSGRDAGVA KGASMRSLRV LNCQGKGTVS GTLIGLEFIR
121	KSQLVQPVGP LVVLLPLAGG YSRVLNAACQ RLARAGVVLV TAAGNFRDDA CLYSPASAPE
181	VITVGATNAQ DQPVTLGTLG TNFGRCVDLF APGEDIIGAS SDCSTCFVSQ SGTSQAAAHV
241	AGIAAMMLSA EPELTLAELR QRLIHFSAKD VINEAWFPED QRVLTPNLVA ALPPSTHGAG
301	NSHHHHHH

Chain: C - Z50-DNP-DAL-PHE-FTR-PRO-THR-0A1-3WX (Length: 9)

1

XAAFWPTYX

References

A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.

Tucker, T.J., Embrey, M.W., Alleyne, C., Amin, R.P., Bass, A., Bhatt, B., Bianchi, E., Branca, D., Bueters, T., Buist, N., Ha, S.N., Hafey, M., He, H., Higgins, J., Johns, D.G., Kerekes, A.D., Koeplinger, K.A., Kuethe, J.T., Li, N., Murphy, B., Orth, P., Salowe, S., Shahripour, A., Tracy, R., Wang, W., Wu, C., Xiong, Y., Zokian, H.J., Wood, H.B., Walji, A.

J Med Chem, 2021

PubMed: 34704436 | DOI: 10.1021/acs.jmedchem.1c01599

Ligand Information

ID	Name	Formula	Molecular Weight
89N	(2E)-but-2-ene-1,4-diol	C4 H8 O2	88.105

Biological Assemblies

Assembly ID: 1

Details: author_and_software_defined_assembly

Oligomeric State: Hetero 3-mer

Stoichiometry: A1, B1, C1