› 2hol

X-ray diffraction
2.9Å resolution

Crystal structure of an E. coli thi-box riboswitch bound to thiamine pyrophosphate, barium ions

Released:
DOI: 10.2210/pdb2hol/pdb
PDB entry 2hol coloured by chain, front view.
PDB entry 2hol coloured by chain, side view.
PDB entry 2hol coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Crystal structures of the thi-box riboswitch bound to thiamine pyrophosphate analogs reveal adaptive RNA-small molecule recognition.
Edwards TE, Ferré-D'Amaré AR
Structure 14 1459-68 (2006)
PMID: 16962976

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195845 (preferred)
Entry contents:
1 distinct RNA molecule
Macromolecule:
thi-box riboswitch Chain: A
Molecule details ›
Chain: A
Length: 83 nucleotides
Theoretical weight: 26.8 KDa
Source organism: Escherichia coli
Expression system: Not provided
Sequence domains: TPP riboswitch (THI element)

Ligands and Environments

4 bound ligands:
Ligand BA 9 x BA
Ligand CA 4 x CA
Ligand MG 1 x MG
Ligand TPP 1 x TPP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P3212
Unit cell:
a: 65.5Å b: 65.5Å c: 101.7Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.21 0.244
Expression system: Not provided

Quick links

Citations

48 review citations

A decade of riboswitches.
Serganov et al. (2013)
47 more

3 mentions without citation

Using RNA Sequence and Structure for the Prediction of Riboswitch Aptamer: A Comprehensive Review of Available Software and Tools.
Antunes et al. (2017)
2 more