Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25669

Title: Solution structure of a self complementary Xylonucleic Acid duplex   PubMed: 26175047

Authors: Maiti, Mohitosh; Maiti, Munmun; Lescrinier, Eveline; Herdewijn, Piet

Citation: Maiti, Mohitosh; Maiti, Munmun; Knies, Christine; Dumbre, Shrinivas; Lescrinier, Eveline; Rosemeyer, Helmut; Ceulemans, Arnout; Herdewijn, Piet. "Xylonucleic acid: synthesis, structure, and orthogonal pairing properties"  Nucleic Acids Res. 43, 7189-7200 (2015).

Assembly members:
XNA, polymer, 8 residues, Formula weight is not available

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts72
1H chemical shifts74
31P chemical shifts7

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID


Entity 1, XNA_1 8 residues - Formula weight is not available

Synthetic polynucleotide sequence



sample_1: XNA 1.5 mM

sample_2: XNA 1.5 mM

sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 283 K


NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HMBC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-31P COSYsample_1isotropicsample_conditions_1
31P Dec. 2D DQF-COSYsample_1isotropicsample_conditions_1


TOPSPIN v2.1, Bruker Biospin - collection, processing

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 500 MHz

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