BMRB

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 17409

Title: A biocompatible backbone modification? - Structure and dynamics of a triazole-linked DNA duplex   PubMed: 22131102

Authors: El-Sagheer, Afaf; Brown, Tom; Ernsting, Nikolaus P.; Dehmel, Lars; Griesinger, Christian; M gge, Clemens

Citation: Dallmann, Andre; El-Sagheer, Afaf; Dehmel, Lars; Muegge, Clemens; Griesinger, Christian; Ernsting, Nikolaus; Brown, Tom. "Structure and Dynamics of Triazole-Linked DNA: Biocompatibility Explained"  Chemistry 17, 14714-14717 (2011).

Assembly members:
DNA_strand_I, polymer, 13 residues, Formula weight is not available
DNA_strand_II, polymer, 13 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):
DNA_strand_I: GCTGCAAACGTCG
DNA_strand_II: CGACGTXTGCAGC

Data sets:
Data typeCount
13C chemical shifts94
1H chemical shifts212

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1DNA_strand_I1
2DNA_strand_II2

Entities:

Entity 1, DNA_strand_I 13 residues - Formula weight is not available

1   DGDCDTDGDCDADADADCDG
2   DTDCDG

Entity 2, DNA_strand_II 13 residues - Formula weight is not available

X=residue containing triazole linkage

1   DCDGDADCDGDTTALDTDGDC
2   DADGDC

Samples:

D2O: DNA strand I 3 mM; DNA strand II 3 mM; D2O, [U-100% 2H], 99.98%; sodium chloride 150 mM; sodium phosphate 10 mM

H2O: DNA strand I 3 mM; DNA strand II 3 mM; D2O, [U-99% 2H], 10%; H2O 90%; sodium chloride 150 mM; sodium phosphate 10 mM

D2O_Pf1: DNA strand I 3 mM; DNA strand II 3 mM; D2O, [U-100% 2H], 99.98%; Pf1 phage 20 mg/ml; sodium chloride 150 mM; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYD2Oisotropicsample_conditions_1
2D 1H-1H NOESYD2Oisotropicsample_conditions_1
2D 1H-1H TOCSYD2Oisotropicsample_conditions_1
2D 1H-13C HMQCD2Oisotropicsample_conditions_1
2D 1H-13C HMQCD2O_Pf1isotropicsample_conditions_1
2D 1H-1H NOESYH2Oisotropicsample_conditions_1

Software:

CARA v1.84, Keller and Wuthrich - chemical shift assignment, peak picking

TOPSPIN v2.1, Bruker Biospin - collection, processing

X-PLOR NIH v2.20, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

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