› 2hoo

X-ray diffraction
3Å resolution

Crystal structure of an E. coli thi-box riboswitch bound to benfotiamine

Released:
DOI: 10.2210/pdb2hoo/pdb
PDB entry 2hoo coloured by chain, front view.
PDB entry 2hoo coloured by chain, side view.
PDB entry 2hoo 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

2 bound ligands:
Ligand CA 7 x CA
Ligand BFT 1 x BFT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P3212
Unit cell:
a: 61.4Å b: 61.4Å c: 102.9Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.212 0.212 0.275
Expression system: Not provided

Quick links

Citations

48 review citations

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

6 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)
5 more