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 34398

Title: Concerted dynamics of metallo-base pairs in an A/B-form helical transition (apo species)   PubMed: 31645548

Authors: Schmidt, O.; Jurt, S.; Johannsen, S.; Karimi, A.; Sigel, R.; Luedtke, N.

Citation: Schmidt, Olivia; Jurt, Simon; Johannsen, Silke; Karimi, Ashkan; Sigel, Roland; Luedtke, Nathan. "Concerted dynamics of metallo-base pairs in an A/B-form helical transition"  Nat. Commun. 10, 4818-4818 (2019).

Assembly members:
entity_1, polymer, 14 residues, 4255.778 Da.

Natural source:   Common Name: not available   Taxonomy ID: 32630   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
1H chemical shifts304

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21


Entity 1, entity_1, 1 14 residues - 4255.778 Da.



sample_1: entity_1 0.3 mM; NaClO4 50 mM

sample_2: entity_1 0.3 mM; NaClO4 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.75; pressure: 1 atm; temperature: 278 K

sample_conditions_2: ionic strength: 50 mM; pH: 7.35 pD; pressure: 1 atm; temperature: 298 K


NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2


TopSpin v4.0.3, Bruker Biospin - collection

Xplor-NIH v2.46, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

Sparky, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE 700 MHz

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