BMRB Entry 34053

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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/BMR34053
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Title:
Structure of a stable G-hairpin
Deposition date:
2016-10-11
Original release date:
2017-02-23
Authors:
Gajarsky, M.; Zivkovic, M.; Stadlbauer, P.; Pagano, B.; Fiala, R.; Amato, J.; Tomaska, L.; Sponer, J.; Plavec, J.; Trantirek, L.
Citation:

Citation: Gajarsky, M.; Zivkovic, M.; Stadlbauer, P.; Pagano, B.; Fiala, R.; Amato, J.; Tomaska, L.; Sponer, J.; Plavec, J.; Trantirek, L.. "Structure of a stable G-hairpin"  J. Am. Chem. Soc. 139, 3591-3594 (2017).
PubMed: 28217994

Assembly members:

Assembly members:
entity_1, polymer, 11 residues, 3476.254 Da.

Natural source:

Natural source:   Common Name: baker's yeast   Taxonomy ID: 4932   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Saccharomyces cerevisiae

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GTGTGGGTGTG

Data sets:
Data typeCount
1H chemical shifts109

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 11 residues - 3476.254 Da.

1   DGDTDGDTDGDGDGDTDGDT
2   DG

Samples:

sample_1: SC11 0.2 mM; potassium chloride 100 mM; potassium phosphate 10 mM

sample_2: SC11 0.2 mM; potassium chloride 100 mM; potassium phosphate 10 mM

sample_3: SC11, partial (12%) 15N, 13C residue-specific labelling, 0.2 mM; potassium chloride 100 mM; potassium phosphate 10 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 283 K

sample_conditions_2: ionic strength: 100 mM; pH: 7.4 pD; pressure: 1 atm; temperature: 283 K

sample_conditions_3: ionic strength: 100 mM; pH: 7.0; 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_2isotropicsample_conditions_2
2D DQF-COSYsample_2isotropicsample_conditions_2
2D 1H-1H ROESYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_2isotropicsample_conditions_2
1D 15N-edited HSQCsample_3isotropicsample_conditions_3
1D 13C-edited HSQCsample_3isotropicsample_conditions_3
diffusion experimentsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_2

Software:

AMBER v14.0, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement, structure calculation

SPARKY, Goddard - chemical shift assignment

TOPSPIN v3.1, Bruker Biospin - processing

VNMR, Varian - chemical shift assignment, processing

NMR spectrometers:

  • Bruker AvanceIII 700 MHz
  • Bruker AvanceIII 850 MHz
  • Bruker AvanceIII 950 MHz
  • Varian Uniform NMR System 600 MHz
  • Bruker AvanceIII 700 MHz