› 4nw9

X-ray diffraction
1.66Å resolution

Crystal structure of macrocycles containing Abeta17-23 (LVF(MEA)AED) and Abeta30-36 (AIIGL(ORN)V)

Released:
DOI: 10.2210/pdb4nw9/pdb
PDB entry 4nw9 coloured by chain, front view.
PDB entry 4nw9 coloured by chain, side view.
PDB entry 4nw9 coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
X-ray crystallographic structures of trimers and higher-order oligomeric assemblies of a peptide derived from Aβ(17-36).
Spencer RK, Li H, Nowick JS
J Am Chem Soc 136 5595-8 (2014)
PMID: 24669800

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164921 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclic hexadecapeptide (ORN)LVF(MEA)AED(ORN)AIIGL(ORN)V Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 16 amino acids
Theoretical weight: 1.76 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand CL 3 x CL
Ligand NA 2 x NA
2 modified residues:
Ligand ORN 36 x ORN
Ligand MEA 12 x MEA

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P3221
Unit cell:
a: 68.22Å b: 68.22Å c: 92.99Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.189 0.209
Expression system: Not provided

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Citations

12 review citations

Amyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies.
Nasica-Labouze et al. (2015)
11 more

3 mentions without citation

Stabilization, Assembly, and Toxicity of Trimers Derived from Aβ.
Kreutzer et al. (2017)
2 more