› 4j50

X-ray diffraction
1.65Å resolution

Crystal Structure of an Expanded RNA CAG Repeat

Released:
DOI: 10.2210/pdb4j50/pdb
PDB 4j50 coloured by chain and viewed from the front.
PDB 4j50 coloured by chain and viewed from the side.
PDB 4j50 coloured by chain and viewed from the top.
Source organism: synthetic construct
Primary publication:
A dynamic structural model of expanded RNA CAG repeats: a refined X-ray structure and computational investigations using molecular dynamics and umbrella sampling simulations.
Yildirim I, Park H, Disney MD, Schatz GC
J. Am. Chem. Soc. 135 3528-38 (2013)
PMID: 23441937

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo hexamer
Entry contents:
1 distinct RNA molecule
Macromolecule:
RNA (5'-R(*UP*UP*GP*GP*GP*CP*CP*AP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*C)-3') Chains: A, B
Molecule details ›
Chains: A, B
Length: 19 nucleotides
Theoretical weight: 6.11 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: R3
Unit cell:
a: 46.338Å b: 46.338Å c: 134.597Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.169 0.168 0.18
Expression system: Not provided

Quick links

Citations

8 review citations

Molecular conformations and dynamics of nucleotide repeats associated with neurodegenerative diseases: double helices and CAG hairpin loops.
Pan et al. (2021)
7 more

2 mentions without citation

Principles for targeting RNA with drug-like small molecules.
Warner et al. (2018)
1 more