BMRB Entry 30823

Title:
1,N6-ethenoadnine (E) in dsDNA sequence (5'-CGCGEATTCGCG-3')
Deposition date:
2020-12-01
Original release date:
2021-12-10
Authors:
Meints, G.; Ljunggren, K.
Citation:

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).
PubMed: 33689312

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XGCGAATTCGCG

Data sets:
Data typeCount
1H chemical shifts85

Additional metadata:

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

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