BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 16138

Title: NMR solution structure of metal-modified DNA   PubMed: 21124482

Authors: Johannsen, Silke; Duepre, Nicole; Boehme, Dominik; Mueller, Jens; Sigel, Roland

Citation: Johannsen, Silke; Megger, N.; Boehme, Dominik; Sigel, Roland; Mueller, Jens. "Solution structure of a DNA double helix with consecutive metal-mediated base pairs"  Nat. Chem. 2, 229-234 (2010).

Assembly members:
DNA_(34-MER), polymer, 34 residues, 8484.617 Da.
AG, non-polymer, 107.868 Da.

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_(34-MER): TTAATTTXXXAAATTAATTA ATTTXXXAAATTAA

Data sets:
Data typeCount
1H chemical shifts332

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DNA (34-MER)1
2SILVER ION_12
3SILVER ION_22
4SILVER ION_32

Entities:

Entity 1, DNA (34-MER) 34 residues - 8484.617 Da.

1   DTDTDADADTDTDTD33D33D33
2   DADADADTDTDADADTDTDA
3   DADTDTDTD33D33D33DADADA
4   DTDTDADA

Entity 2, SILVER ION_1 - Ag - 107.868 Da.

1   AG

Samples:

sample_1: DNA (34-MER)0.3 – 0.5 mM; sodium perchlorate 120 mM; SILVER ION0.9 – 1.5 mM

sample_2: DNA (34-MER)0.3 – 0.5 mM; sodium perchlorate 120 mM; SILVER ION0.9 – 1.5 mM

sample_conditions_1: ionic strength: 0.12 M; pD: 7.2; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.12 M; pH: 7.2; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
1D 31Psample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2

Software:

TOPSPIN v1.3, 2.0, 2.1, Bruker Biospin - processing

SPARKY v3.1, Goddard - chemical shift assignment, data analysis, peak picking

DYANA v1.5, Guntert, Braun and Wuthrich - structure solution

X-PLOR NIH v2.15, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker AV-2 400 MHz

Related Database Links: