BMRB Entry 19389

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19389
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution structure of a stacked dimeric G-quadruplex formed by a segment of the human CEB1 minisatellite
Deposition date:
2013-07-25
Original release date:
2014-05-27
Authors:
Adrian, Michael; Ang, Ding Jie; Lech, Christopher; Heddi, Brahim; Nicolas, Alain; Phan, Anh Tuan
Citation:

Citation: Adrian, Michael; Ang, Ding Jie; Lech, Christopher; Heddi, Brahim; Nicolas, Alain; Phan, Anh Tuan. "Structure and Conformational Dynamics of a Stacked Dimeric G-Quadruplex Formed by the Human CEB1 Minisatellite"  J. Am. Chem. Soc. 136, 6297-6305 (2014).
PubMed: 24742225

Assembly members:

Assembly members:
DNA_(5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*TP*GP*G)-3'), polymer, 18 residues, 5807.783 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DNA_(5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*TP*GP*G)-3'): AGGGGGGAGGGAGGGTGG

Data sets:
Data typeCount
1H chemical shifts134

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*TP*GP*G)-3')_11
2DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*TP*GP*G)-3')_21

Entities:

Entity 1, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*TP*GP*G)-3')_1 18 residues - 5807.783 Da.

1   DADGDGDGDGDGDGDADGDG
2   DGDADGDGDGDTDGDG

Samples:

sample_1: DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*TP*GP*G)-3') 1.5 mM; potassium phosphate 20 mM; potassium chloride 70 mM; DSS 10 uM; H2O 90%; D2O 10%

sample_2: DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*TP*GP*G)-3') 1.5 mM; potassium phosphate 20 mM; potassium chloride 70 mM; DSS 10 uM; D2O 100%

sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

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

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 700 MHz