BMRB Entry 16356

Name: Structure of a two-G-tetrad intramolecular G-quadruplex formed by a variant human telomeric sequence in K+ solution
Published: 2009-12-11

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PDB ID: 2kka
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16356
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structure of a two-G-tetrad intramolecular G-quadruplex formed by a variant human telomeric sequence in K+ solution PubMed: 19946019

Deposition date: 2009-06-16 Original release date: 2009-12-11

Authors: Zhang, Zhengjiang; Dai, Jixun; Yang, Danzhou

Citation: Zhang, Zhenjiang; Dai, Jixun; Veliath, Elizabeth; Jones, Roger; Yang, Danzhou. "Structure of a two-G-tetrad intramolecular G-quadruplex formed by a variant human telomeric sequence in K+ solution: insights into the interconversion of human telomeric G-quadruplex structures." Nucleic Acids Res. 38, 1009-1021 (2010).

Assembly members:
DNA(5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*(INO)P*GP*GP*TP*TP*AP*GP*GP*GP*T)-3'), polymer, 23 residues, 7095.636 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):
DNA(5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*(INO)P*GP*GP*TP*TP*AP*GP*GP*GP*T)-3'): AGGGTTAGGGTTAXGGTTAG GGT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	210

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA(5'-D(APGPGPGPTPTPAPGPGPGPTPTPAP(INO)PGPGPTPTPAPGPGPGP*T)-3')	1

Entities:

Entity 1, DNA(5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*(INO)P*GP*GP*TP*TP*AP*GP*GP*GP*T)-3') 23 residues - 7095.636 Da.

1

DA

DG

DT

DA

DG

2

DT

DA

INO

DG

DT

DA

DG

3

DG

DT

Samples:

sample_1: entity 1 mM; potassium chloride 60 mM; potassium phosphate 30 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 90 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker DRX 600 MHz