5NXT

Wobble base paired RNA double helix


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.38 Å
  • R-Value Free: 0.151 
  • R-Value Work: 0.130 
  • R-Value Observed: 0.131 

wwPDB Validation   3D Report Full Report


This is version 2.0 of the entry. See complete history


Literature

A novel form of RNA double helix based on G·U and C·A+ wobble base pairing.

Garg, A.Heinemann, U.

(2018) RNA 24: 209-218

  • DOI: https://doi.org/10.1261/rna.064048.117
  • Primary Citation of Related Structures:  
    5NXT

  • PubMed Abstract: 

    Wobble base pairs are critical in various physiological functions and have been linked to local structural perturbations in double-helical structures of nucleic acids. We report a 1.38-Å resolution crystal structure of an antiparallel octadecamer RNA double helix in overall A conformation, which includes a unique, central stretch of six consecutive wobble base pairs (W helix) with two G·U and four rare C·A + wobble pairs. Four adenines within the W helix are N1-protonated and wobble-base-paired with the opposing cytosine through two regular hydrogen bonds. Combined with the two G·U pairs, the C·A + base pairs facilitate formation of a half turn of W-helical RNA flanked by six regular Watson-Crick base pairs in standard A conformation on either side. RNA melting experiments monitored by differential scanning calorimetry, UV and circular dichroism spectroscopy demonstrate that the RNA octadecamer undergoes a pH-induced structural transition which is consistent with the presence of a duplex with C·A + base pairs at acidic pH. Our crystal structure provides a first glimpse of an RNA double helix based entirely on wobble base pairs with possible applications in RNA or DNA nanotechnology and pH biosensors.


  • Organizational Affiliation

    Crystallography, Max-Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125 Berlin, Germany.


Macromolecules

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Entity ID: 1
MoleculeChains LengthOrganismImage
RNA (5'-R(*UP*GP*UP*UP*CP*UP*CP*UP*AP*CP*GP*AP*AP*GP*AP*AP*CP*A)-3')A [auth U]18synthetic construct
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.38 Å
  • R-Value Free: 0.151 
  • R-Value Work: 0.130 
  • R-Value Observed: 0.131 
  • Space Group: P 63 2 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 44.997α = 90
b = 44.997β = 90
c = 94.205γ = 120
Software Package:
Software NamePurpose
PHENIXrefinement
PHASERphasing
XDSdata reduction

Structure Validation

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Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Germany--

Revision History  (Full details and data files)

  • Version 1.0: 2017-11-29
    Type: Initial release
  • Version 1.1: 2017-12-06
    Changes: Database references, Derived calculations
  • Version 1.2: 2018-01-24
    Changes: Database references
  • Version 2.0: 2024-01-17
    Changes: Atomic model, Data collection, Database references, Derived calculations, Refinement description