› 7tzt

X-ray diffraction
2.96Å resolution

Crystal structure of the E. coli thiM riboswitch in complex with N1,N1-dimethyl-N2-(quinoxalin-6-ylmethyl)ethane-1,2-diamine (linked compound 37)

Released:
DOI: 10.2210/pdb7tzt/pdb
Model geometry
Fit model/data
PDB entry 7tzt coloured by chain, front view.
PDB entry 7tzt coloured by chain, side view.
PDB entry 7tzt coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
SHAPE-enabled fragment-based ligand discovery for RNA.
Zeller MJ, Favorov O, Li K, Nuthanakanti A, Hussein D, Michaud A, Lafontaine DA, Busan S, Serganov A, Aubé J, Weeks KM
OpenAccess logo Proc Natl Acad Sci U S A 119 e2122660119 (2022)
PMID: 35561226

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-303229 (preferred)
Entry contents:
1 distinct RNA molecule
Macromolecule:
RNA (79-MER) 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 aptamer (THI element)

Ligands and Environments

3 bound ligands:
Ligand MN 2 x MN
Ligand MG 1 x MG
Ligand KXC 1 x KXC
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P3212
Unit cell:
a: 61.018Å b: 61.018Å c: 102.855Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.244 0.243 0.257
Expression system: Not provided

Quick links

Citations

5 review citations

Probing the dynamic RNA structurome and its functions.
Spitale et al. (2023)
4 more