› 3q9j

X-ray diffraction
2.55Å resolution

AIIFL segment derived from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold

Released:
DOI: 10.2210/pdb3q9j/pdb
PDB entry 3q9j coloured by chain, front view.
PDB entry 3q9j coloured by chain, side view.
PDB entry 3q9j coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Characteristics of amyloid-related oligomers revealed by crystal structures of macrocyclic β-sheet mimics.
Liu C, Sawaya MR, Cheng PN, Zheng J, Nowick JS, Eisenberg D
J Am Chem Soc 133 6736-44 (2011)
PMID: 21473620

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163924 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclic pseudo-peptide AIIFL(ORN)(HAO)YK(ORN) Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 10 amino acids
Theoretical weight: 1.33 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand ZN 8 x ZN
Ligand GOL 3 x GOL
Ligand CL 4 x CL
1 modified residue:
Ligand ORN 16 x ORN

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P31
Unit cell:
a: 41.78Å b: 41.78Å c: 63.06Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.18 0.176 0.223
Expression system: Not provided

Quick links

Citations

12 review citations

The toxic Aβ oligomer and Alzheimer's disease: an emperor in need of clothes.
Benilova et al. (2012)
11 more

2 mentions without citation

The supramolecular chemistry of β-sheets.
Cheng et al. (2013)
1 more