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 34062

Title: Quadruplex with flipped tetrad formed by a human telomeric sequence   PubMed: 28318229

Authors: Dickerhoff, J.; Haase, L.; Langel, W.; Weisz, K.

Citation: Dickerhoff, J.; Haase, L.; Langel, W.; Weisz, K.. "Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes."  ACS Chem. Biol. 12, 1308-1315 (2017).

Assembly members:
entity_1, polymer, 24 residues, 7645.855 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: TTXGGTTAXGGTTAGGGTTA XGGA

Data sets:
Data typeCount
13C chemical shifts46
1H chemical shifts197

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 24 residues - 7645.855 Da.

1   DTDTGF2DGDGDTDTDAGF2DG
2   DGDTDTDADGDGDGDTDTDA
3   GF2DGDGDA

Samples:

sample_1: DNA 0.59 mM; potassium phosphate 10.0 mM

sample_2: DNA 0.59 mM; potassium phosphate 10.0 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D HMBCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

AMBER v14, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

Analysis v2.1, CCPN - peak picking

Analysis v2.2, CCPN - chemical shift assignment

X-PLOR NIH v2.39, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

NMR spectrometers:

  • Bruker Avance 600 MHz

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