BMRB Entry 34034

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34034
MolProbity Validation Chart

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Title:
A two-quartet G-quadruplex formed by human telomere in KCl solution at neutral pH
Deposition date:
2016-08-17
Original release date:
2018-06-07
Authors:
Galer, P.; Wang, B.; Sket, P.; Plavec, J.
Citation:

Citation: Galer, P.; Wang, B.; Sket, P.; Plavec, J.. "Reversible pH Switch of Two-Quartet G-Quadruplexes Formed by Human Telomere"  Angew. Chem. Int. Ed. Engl. 55, 1993-1997 (2016).
PubMed: 26836334

Assembly members:

Assembly members:
DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), polymer, 22 residues, 6958.484 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(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'): TAGGGTTAGGGTTAGGGTTA GG

Data sets:
Data typeCount
1H chemical shifts182

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 22 residues - 6958.484 Da.

1   DTDADGDGDGDTDTDADGDG
2   DGDTDTDADGDGDGDTDTDA
3   DGDG

Samples:

sample_1: DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), 8% 13C; 8% 15N, 1 mM; potassium chloride 70 mM

sample_2: DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3') 1 mM; potassium chloride 70 mM

sample_3: DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3') 1 mM; potassium chloride 70 mM

sample_conditions_1: ionic strength: 70 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1H-15N HSQCsample_1anisotropicsample_conditions_1
2D 1H-15N HSQC NH2 onlysample_1anisotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1anisotropicsample_conditions_1
2D 1H-1H TOCSYsample_2anisotropicsample_conditions_1
2D NOESYsample_3anisotropicsample_conditions_1
2D ROESYsample_2anisotropicsample_conditions_1
2D DQF-COSYsample_3anisotropicsample_conditions_1
2D NOESYsample_2anisotropicsample_conditions_1
2D 1H-1H TOCSYsample_3anisotropicsample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment, peak picking

VNMR, Varian - collection, processing

NMR spectrometers:

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