BMRB Entry 34276

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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/BMR34276
MolProbity Validation Chart

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Title:
Tc-DNA/RNA duplex
Deposition date:
2018-05-28
Original release date:
2018-06-07
Authors:
Istrate, A.; Johannsen, S.; Istrate, A.; Sigel, R.; Leumann, C.
Citation:

Citation: Istrate, A.; Johannsen, S.; Istrate, A.; Sigel, R.; Leumann, C.. "NMR solution structure of tricyclo-DNA containing duplexes: insight into enhanced thermal stability and nuclease resistance"  Nucleic Acids Res. 47, 4872-4882 (2019).
PubMed: 30916334

Assembly members:

Assembly members:
entity_1, polymer, 10 residues, 3432.555 Da.
entity_2, polymer, 10 residues, 3240.012 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XXXXXXXXAX
entity_2: GUAAGCCGAG

Data sets:
Data typeCount
13C chemical shifts121
1H chemical shifts228

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 10 residues - 3432.555 Da.

1   TCJEANTCJF4QF4QTCJEANEANTCYTCJ

Entity 2, entity_2 10 residues - 3240.012 Da.

1   GUAAGCCGAG

Samples:

sample_1: tc-DNA/RNA 0.5 mM; tc-DNA/RNA 0.5 mM; NaCl 50 mM; NaH2PO4 10 mM

sample_2: tc-DNA/RNA 0.5 mM; tc-DNA/RNA 0.5 mM; NaCl 50 mM; NaH2PO4 10 mM

sample_conditions_1: pH: 7.05; pressure: 1 atm; temperature: 298 K

sample_conditions_2: pH: 7.05; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

GROMOS, van Gunsteren and Berendsen - refinement

SPARKY, Goddard - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Bruker AvanceII 700 MHz