BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 34281

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34281

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Title: Solution structure of the hazel allergen Cor a 1.0401   PubMed: 31213622

Deposition date: 2018-06-07 Original release date: 2019-06-13

Authors: Jacob, T.; Schweimer, K.; Seutter von Loetzen, C.; Woehrl, B.

Citation: Jacob, Thessa; von Loetzen, Christian Seutter; Reuter, Andreas; Lacher, Ulrike; Schiller, Dirk; Schobert, Rainer; Mahler, Vera; Vieths, Stefan; Rosch, Paul; Schweimer, Kristian; Wohrl, Birgitta. "Identification of a natural ligand of the hazel allergen Cor a 1."  Sci. Rep. 9, 8714-8714 (2019).

Assembly members:
entity_1, polymer, 161 residues, 17606.072 Da.

Natural source:   Common Name: European hazel   Taxonomy ID: 13451   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Corylus avellana

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

Entity Sequences (FASTA):
entity_1: MGVFCYEDEATSVIPPARLF KSFVLDADNLIPKVAPQHFT SAENLEGNGGPGTIKKITFA EGNEFKYMKHKVEEIDHANF KYCYSIIEGGPLGHTLEKIS YEIKMAAAPHGGGSILKITS KYHTKGNASINEEEIKAGKE KAAGLFKAVEAYLLAHPDAY C

Data sets:
Data typeCount
13C chemical shifts572
15N chemical shifts127
1H chemical shifts896

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 161 residues - 17606.072 Da.

1   METGLYVALPHECYSTYRGLUASPGLUALA
2   THRSERVALILEPROPROALAARGLEUPHE
3   LYSSERPHEVALLEUASPALAASPASNLEU
4   ILEPROLYSVALALAPROGLNHISPHETHR
5   SERALAGLUASNLEUGLUGLYASNGLYGLY
6   PROGLYTHRILELYSLYSILETHRPHEALA
7   GLUGLYASNGLUPHELYSTYRMETLYSHIS
8   LYSVALGLUGLUILEASPHISALAASNPHE
9   LYSTYRCYSTYRSERILEILEGLUGLYGLY
10   PROLEUGLYHISTHRLEUGLULYSILESER
11   TYRGLUILELYSMETALAALAALAPROHIS
12   GLYGLYGLYSERILELEULYSILETHRSER
13   LYSTYRHISTHRLYSGLYASNALASERILE
14   ASNGLUGLUGLUILELYSALAGLYLYSGLU
15   LYSALAALAGLYLEUPHELYSALAVALGLU
16   ALATYRLEULEUALAHISPROASPALATYR
17   CYS

Samples:

sample_1: Cor a 1.0401, [U-13C; U-15N], 0.6 mM; DTT 2 mM; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D (H)NNH NOESY HSQCsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D (H)CCH-NOESY HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

Xplor-NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

TopSpin, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance 1000 MHz

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