› 6u3i

X-ray diffraction
2.9Å resolution

Design of organo-peptides as bipartite PCSK9 antagonists

Released:
DOI: 10.2210/pdb6u3i/pdb
PDB entry 6u3i coloured by chain, front view.
PDB entry 6u3i coloured by chain, side view.
PDB entry 6u3i coloured by chain, top view.
Source organisms:
Primary publication:
Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Burdick DJ, Skelton NJ, Ultsch M, Beresini MH, Eigenbrot C, Li W, Zhang Y, Nguyen H, Kong-Beltran M, Quinn JG, Kirchhofer D
ACS Chem Biol 15 425-436 (2020)
PMID: 31962046

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-231540 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Proprotein convertase subtilisin/kexin type 9 Chain: A
Molecule details ›
Chain: A
Length: 700 amino acids
Theoretical weight: 75.57 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: Q8NBP7 (Residues: 1-692; Coverage: 100%)
Gene names: NARC1, PCSK9, PSEC0052
Sequence domains:
cis-1-amino-4-phenylcyclohexaneacyl-WNLK(hR)I(D-ser)LLR - NH2 Chain: B
Molecule details ›
Chain: B
Length: 11 amino acids
Theoretical weight: 1.52 KDa
Source organism: Homo sapiens
Expression system: Not provided
7G7 heavy chain Chain: H
Molecule details ›
Chain: H
Length: 223 amino acids
Theoretical weight: 24.12 KDa
Source organism: Mus musculus
Expression system: Mus musculus
Ig-like domain-containing protein Chain: L
Molecule details ›
Chain: L
Length: 214 amino acids
Theoretical weight: 23.66 KDa
Source organism: Mus musculus
Expression system: Mus musculus
UniProt:
  • Canonical: A0A0U5BC76 (Residues: 21-234; Coverage: 100%)
Gene name: LC
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand CA 1 x CA
2 modified residues:
Ligand HRG 1 x HRG
Ligand DSN 1 x DSN

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: I222
Unit cell:
a: 111.57Å b: 143.03Å c: 241.23Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.179 0.217
Expression systems:
  • Cricetulus griseus
  • Not provided
  • Mus musculus

Quick links

Citations

1 review citation

Targeting proprotein convertase subtilisin/kexin type 9 (PCSK9): from bench to bedside.
Bao et al. (2024)
2 other articles

1 mention without citation

Assessing the genetic burden of familial hypercholesterolemia in a large middle eastern biobank.
Gandhi et al. (2022)