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 25272

Title: Backbone 1H, 13C and 15N and 13Ca and 13Cb chemical shift assignment of Bet v 1.0101   PubMed: 25517162

Deposition date: 2014-10-08 Original release date: 2019-07-11

Authors: Grutsch, Sarina; Fuchs, Julian; Fischer, Regina; Kofler, Stefan; Bibi, Marium; Asam, Claudia; Wallner, Michael; Ferreira, F tima; Brandstetter, Hans; Liedl, Klaus

Citation: Grutsch, Sarina; Fuchs, Julian; Freier, Regina; Kofler, Stefan; Bibi, Marium; Asam, Claudia; Wallner, Michael; Ferreira, Fatima; Brandstetter, Hans; Liedl, Klaus; Tollinger, Martin. "Ligand binding modulates the structural dynamics and compactness of the major birch pollen allergen"  Biophys. J. 107, 2972-2981 (2014).

Assembly members:
major_birch_pollen_allergen, polymer, 159 residues, Formula weight is not available

Natural source:   Common Name: European white birch   Taxonomy ID: 3505   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Betula verrucosa

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
major_birch_pollen_allergen: GVFNYETETTSVIPAARLFK AFILDGDNLFPKVAPQAISS VENIEGNGGPGTIKKISFPE GFPFKYVKDRVDEVDHTNFK YNYSVIEGGPIGDTLEKISN EIKIVATPDGGSILKISNKY HTKGDHEVKAEQVKASKEMG ETLLRAVESYLLAHSDAYN

Data sets:
Data typeCount
13C chemical shifts406
15N chemical shifts144
1H chemical shifts144

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1major birch pollen allergen1

Entities:

Entity 1, major birch pollen allergen 159 residues - Formula weight is not available

1   GLYVALPHEASNTYRGLUTHRGLUTHRTHR
2   SERVALILEPROALAALAARGLEUPHELYS
3   ALAPHEILELEUASPGLYASPASNLEUPHE
4   PROLYSVALALAPROGLNALAILESERSER
5   VALGLUASNILEGLUGLYASNGLYGLYPRO
6   GLYTHRILELYSLYSILESERPHEPROGLU
7   GLYPHEPROPHELYSTYRVALLYSASPARG
8   VALASPGLUVALASPHISTHRASNPHELYS
9   TYRASNTYRSERVALILEGLUGLYGLYPRO
10   ILEGLYASPTHRLEUGLULYSILESERASN
11   GLUILELYSILEVALALATHRPROASPGLY
12   GLYSERILELEULYSILESERASNLYSTYR
13   HISTHRLYSGLYASPHISGLUVALLYSALA
14   GLUGLNVALLYSALASERLYSGLUMETGLY
15   GLUTHRLEULEUARGALAVALGLUSERTYR
16   LEULEUALAHISSERASPALATYRASN

Samples:

sample_1: major birch pollen allergen, [U-100% 13C; U-100% 15N], 0.5-1 mM

sample_conditions_1: ionic strength: 5 mM; pH: 8.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

NMRPipe, CCPN - chemical shift assignment

NMR spectrometers:

  • Agilent DD2 500 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts