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 5737

Title: Structure of the parallel-stranded DNA quadruplex d(TTAGGGA)4 containing the human telomeric repeat: evidence for A-tetrad formation from NMR and molecular dynamics simulation.   PubMed: 12926351

Authors: Gavathiotis, E.; Searle, M.

Citation: Gavathiotis, E.; Searle, M.. "Structure of the Parallel-stranded DNA Quadruplex d(TTAGGGT)4 Containing the Human Telomeric Repeat: Evidence for A-tetrad Formation from NMR and Molecular Dynamics Simulations"  Org. Biomol. Chem. 1, 1650-1656 (2003).

Assembly members:
5'-D(*TP*TP*AP*GP*GP*GP*T)-3', polymer, 7 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: .

Entity Sequences (FASTA):
5'-D(*TP*TP*AP*GP*GP*GP*T)-3': TTAGGGT

Data sets:
Data typeCount
1H chemical shifts63

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1TTAGGGT chain A1
2TTAGGGT chain B1
3TTAGGGT chain C1
4TTAGGGT chain D1

Entities:

Entity 1, TTAGGGT chain A 7 residues - Formula weight is not available

1   DTDTDADGDGDGDT

Samples:

sample_1: 5'-D(*TP*TP*AP*GP*GP*GP*T)-3' 6.4 mM; KCl 100 mM; K2HPO4 10 mM; EDTA 0.1 mM; NaN3 0.1 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1not availablesample_cond_1
2D TOCSYsample_1not availablesample_cond_1
DQF-COSYsample_1not availablesample_cond_1

Software:

xwinnmr v2.6 - collection, processing

ANSIG vv3.3 - data analysis

AMBER v6 - refinement

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links: