› 6qiq

X-ray diffraction
2.52Å resolution

Crystal structure of seleno-derivative CAG repeats with synthetic CMBL3a compound

Released:
DOI: 10.2210/pdb6qiq/pdb
PDB entry 6qiq coloured by chain, front view.
PDB entry 6qiq coloured by chain, side view.
PDB entry 6qiq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Mukherjee S, Błaszczyk L, Rypniewski W, Falschlunger C, Micura R, Murata A, Dohno C, Nakatani K, Kiliszek A
Nucleic Acids Res 47 10906-10913 (2019)
PMID: 31566242

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-197120 (preferred)
Entry contents:
1 distinct RNA molecule
Macromolecule:
RNA (5'-R(*GP*CP*AP*G)-D(P*(CSL))-R(P*AP*GP*C)-3') Chains: A, B
Molecule details ›
Chains: A, B
Length: 8 nucleotides
Theoretical weight: 2.64 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand J48 2 x J48
1 modified residue:
Ligand CSL 2 x CSL

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P6522
Unit cell:
a: 46.866Å b: 46.866Å c: 214.028Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.206 0.204 0.227
Expression system: Not provided

Quick links

Citations

1 review citation

Inhibition of RNA-binding proteins with small molecules.
Wu P. (2020)
10 other articles

1 mention without citation

Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Mukherjee et al. (2019)