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 34353

Title: TINA-conjugated antiparallel DNA triplex

Deposition date: 2019-01-16 Original release date: 2020-02-03

Authors: Garavis, M.; Edwards, P.; Doluca, O.; Filichev, V.; Gonzalez, C.

Citation: Garavis, M.; Edwards, P.; Doluca, O.; Filichev, V.; Gonzalez, C.. "Three-dimensional structure of a TINA-conjugated antiparallel DNA triplex"  . ., .-..

Assembly members:
entity_1, polymer, 7 residues, 2024.348 Da.
entity_2, polymer, 7 residues, 2211.486 Da.
entity_3, polymer, 8 residues, 2652.881 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):
entity_1: TCCTCCT
entity_2: AGGAGGA
entity_3: TGGTGXGT

Data sets:
Data typeCount
1H chemical shifts178

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all


Entity Assembly IDEntity NameEntity ID


Entity 1, entity_1 7 residues - 2024.348 Da.


Entity 2, entity_2 7 residues - 2211.486 Da.


Entity 3, entity_3 8 residues - 2652.881 Da.



sample_1: Triplex-TINA 0.5 mM; Triplex-TINA 0.5 mM; Triplex-TINA 0.5 mM

sample_2: Triplex-TINA 0.5 mM; Triplex-TINA 0.5 mM; Triplex-TINA 0.5 mM

sample_conditions_1: ionic strength: 125 mM; pH: 7.0; pressure: 1 atm; temperature: 279.6 K

sample_conditions_2: ionic strength: 125 mM; pH: 7; pressure: 1 atm; temperature: 300.4 K


NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_2


TopSpin, Bruker Biospin - collection

Sparky, Goddard - chemical shift assignment

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

NMR spectrometers:

  • Bruker AVANCE 600 MHz
  • Bruker AVANCE 800 MHz