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 25596

Title: Structure of DNA G-quadruplex adopted by ALS and FTD related GGGGCC repeat with G21 to Br-G21 substitution   PubMed: 26253741

Authors: Brcic, J.; Plavec, J.

Citation: Brcic, J.; Plavec, J.. "Solution structure of a DNA quadruplex containing ALS and FTD related GGGGCC repeat stabilized by 8-bromodeoxyguanosine substitution"  Nucleic Acids Res. 43, 8590-8600 (2015).

Assembly members:
GGGGCC_repeat_G-quadruplex, polymer, 22 residues, 6957.481 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):
GGGGCC_repeat_G-quadruplex: GGGGCCGGGGCCGGGGCCGG XG

Data sets:
Data typeCount
1H chemical shifts166

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1G-quadruplex1

Entities:

Entity 1, G-quadruplex 22 residues - 6957.481 Da.

1   DGDGDGDGDCDCDGDGDGDG
2   DCDCDGDGDGDGDCDCDGDG
3   BGMDG

Samples:

sample_1: dna 0.5 mM; potassium chloride 120 mM; potassium phosphate 20 mM; H2O 90%; D2O 10%

sample_2: dna 0.5 mM; potassium chloride 120 mM; potassium phosphate 20 mM; D2O 100%

sample_3: dna, 8% 13C, 8% 15 N, 0.3 – 0.6 mM; potassium chloride 120 mM; potassium phosphate 20 mM; H2O 90%; D2O 10%

sample_4: dna, 8% 15 N, 0.3 – 0.6 mM; potassium chloride 120 mM; potassium phosphate 20 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 140 mM; pH: 7.2; pressure: 1 atm; temperature: 273 K

sample_conditions_2: ionic strength: 140 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1H-1H_TOCSYsample_2isotropicsample_conditions_1
1H-1H_NOESYsample_1isotropicsample_conditions_1
1H_1H_DQF_COSYsample_2isotropicsample_conditions_1
1D_13C__HSQCsample_3isotropicsample_conditions_2
1D_15N_HSQCsample_4isotropicsample_conditions_1
1H-1H_NOESYsample_2isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - peak picking

NMR spectrometers:

  • Agilent-Varian Uniform NMR System 600 MHz
  • Agilent-Varian Uniform NMR System 800 MHz

Related Database Links:

NCBI NM_018325