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 36020

Title: Structure of two CCTG repeats   PubMed: 27589409

Authors: Guo, Pei; Lam, Sik Lok

Citation: Guo, Pei; Lam, Sik Lok. "Minidumbbell: A New Form of Native DNA Structure"  J. Am. Chem. Soc. 138, 12534-12540 (2016).

Assembly members:
DNA (5'-D(*CP*CP*TP*GP*CP*CP*TP*G)-3'), polymer, 8 residues, 2378.567 Da.
SODIUM ION, non-polymer, 22.990 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(*CP*CP*TP*GP*CP*CP*TP*G)-3'): CCTGCCTG

Data sets:
Data typeCount
1H chemical shifts82

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_NA2
3entity_NA2
4entity_NA2
5entity_NA2
6entity_NA2
7entity_NA2
8entity_NA2

Entities:

Entity 1, entity_1 8 residues - 2378.567 Da.

1   DCDCDTDGDCDCDTDG

Entity 2, entity_NA - Na - 22.990 Da.

1   NA

Samples:

sample_1: DNA (5'-D(*CP*CP*TP*GP*CP*CP*TP*G)-3') 1.0 mM; DSS 0.1 mM; sodium phosphate 10 mM; D2O, [U-2H], 100%

sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

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

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AvanceIII 700 MHz
  • Bruker AvanceII 500 MHz

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