BMRB Entry 25669

Name: Solution structure of a self complementary Xylonucleic Acid duplex
Published: 2015-07-21

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PDB ID: 2n4j
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25669
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of a self complementary Xylonucleic Acid duplex

Deposition date:

2015-06-19

Original release date:

2015-07-21

Authors:

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

Citation:

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).
PubMed: 26175047

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
XNA: XXXXXXXX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	72
1H chemical shifts	74
31P chemical shifts	7

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	XNA_1	1
2	XNA_2	1

Entities:

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

Synthetic polynucleotide sequence

1

8XG

8XU

8XG

8XU

8XA

8XC

8XA

8XC

Samples:

sample_1: XNA 1.5 mM

sample_2: XNA 1.5 mM

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

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HMBC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-31P COSY	sample_1	isotropic	sample_conditions_1
31P Dec. 2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

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