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 30823

Title: 1,N6-ethenoadnine (E) in dsDNA sequence (5'-CGCGEATTCGCG-3')   PubMed: 33689312

Deposition date: 2020-12-01 Original release date: 2021-12-10

Authors: Meints, G.; Ljunggren, K.

Citation: Westwood, M; Ljunggren, K; Boyd, Benjamin; Becker, Jaclyn; Dwyer, Tammy; Meints, Gary. "Single-Base Lesions and Mismatches Alter the Backbone Conformational Dynamics in DNA"  Biochemistry 60, 873-885 (2021).

Assembly members:
entity_1, polymer, 12 residues, 3607.433 Da.

Natural source:   Common Name: not available   Taxonomy ID: 32630   Superkingdom: not available   Kingdom: not available   Genus/species: synthetic construct

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: XGCGAATTCGCG

Data sets:
Data typeCount
1H chemical shifts85

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_21

Entities:

Entity 1, unit_1 12 residues - 3607.433 Da.

1   DCZDGDCDGEDADADTDTDCDG
2   DCDG

Samples:

sample_1: DNA 1.0 ± 0.2 mM

sample_conditions_1: ionic strength: 25 mM; pH: 7.4 pD; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman - refinement, structure calculation

Felix, Accelrys Software Inc. - chemical shift assignment, peak picking

NMR spectrometers:

  • Varian INOVA 400 MHz
  • Varian INOVA 500 MHz