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 25110

Title: Solution structure of a left-handed G-quadruplex   PubMed: 25695967

Authors: Chung, Wan Jun; Heddi, Brahim; Schmitt, Emmanuelle; Lim, Kah Wai; Mechulam, Yves; Phan, Anh Tuan

Citation: Chung, Wan Jun; Heddi, Brahim; Schmitt, Emmanuelle; Lim, Kah Wai; Mechulam, Yves; Phan, Anh Tuan. "Structure of a left-handed DNA G-quadruplex"  Proc. Natl. Acad. Sci. U. S. A. 112, 2729-2733 (2015).

Assembly members:
DNA_(28-MER), polymer, 28 residues, 8872.726 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_(28-MER): TGGTGGTGGTGGTTGTGGTG GTGGTGTT

Data sets:
Data typeCount
1H chemical shifts267

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DNA (28-MER)1

Entities:

Entity 1, DNA (28-MER) 28 residues - 8872.726 Da.

1   DTDGDGDTDGDGDTDGDGDT
2   DGDGDTDTDGDTDGDGDTDG
3   DGDTDGDGDTDGDTDT

Samples:

sample_1: DNA (28-MER)0.2 – 2 mM; DNA (28-MER), [U-2% 15N], 0.2 – 0.5 mM; DNA (28-MER), [U-100% 2H], 0.2 – 0.5 mM; H2O 90%; D2O 10%

sample_2: DNA (28-MER)0.2 – 2 mM; DNA (28-MER), [U-4% 13C; U-4% 15N], 0.2 – 1 mM; D2O 100%

sample_conditions_1: ionic strength: 90 mM; pH: 7; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H JR NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_1
2D 1H-13C JR HMBCsample_1isotropicsample_conditions_1
15N-FILTEREDsample_1isotropicsample_conditions_1
D-LABELEDsample_1isotropicsample_conditions_1

Software:

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, refinement

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 700 MHz

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