BMRB Entry 31254

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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/BMR31254
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Title:
Hybrid-1 form of human telomere DNA quadruplex with wild-type 5'-flanking in K+ solution
Deposition date:
2025-06-25
Original release date:
2026-05-07
Authors:
Dickerhoff, J.; Yang, D.
Citation:

Citation: Dickerhoff, J.; Yang, D.. "NMR Structure Study of DNA G-quadruplexes and Ligand Interactions"  .

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 7600.897 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):
entity_1: TAGGGTTAGGGTTAGGGTTA GGGA

Data sets:
Data typeCount
13C chemical shifts288
1H chemical shifts459

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 24 residues - 7600.897 Da.

1   DTDADGDGDGDTDTDADGDG
2   DGDTDTDADGDGDGDTDTDA
3   DGDGDGDA

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*GP*GP*A)-3') 1.9 mM; potassium cyanide 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 10 mM; pH: 7; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-13C HSQCsample_1isotropicsample_conditions_2

Software:

TopSpin, Bruker Biospin - processing

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

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

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 800 MHz