BMRB Entry 52772

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52772

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Title:
Cora10501
Deposition date:
2024-12-20
Original release date:
2025-11-18
Authors:
Hendrich, Julian; Schweimer, Kristian; Woehrl, Birgitta; Kara, Hatice
Citation:

Citation: Hendrich, Julian; Kara, Hatice; Schweimer, Kristian; Jacob, Thessa; Schneider, Maike; Baldermann, Susanne; Woehrl, Birgitta. "Identification of glycosylated flavonoids as new physiological ligands of the hazel allergen Cor a 1: Complex structures reveal different binding orientation and specificity of mono- and disaccharide derivatives"  Food Chem. X 29, 102711-102711 (2025).
PubMed: 40686861

Assembly members:

Assembly members:
entity_1, polymer, 160 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-GB1a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGVHTLSDEFTSPIPAPKLF KALILDADNLLPKLLPQAIK SIETIEGDGGPGTIKKITIA EGTHIKHLKHRIDAVEEEKL TYSYTLIEGDDLLDKFESIS YEIKFESSPDGGAKCTNLSK YHPKPGVQINEEEIKASKEK GMAVYRAVEAFLLANPEAYA

Data sets:
Data typeCount
13C chemical shifts587
15N chemical shifts136
1H chemical shifts866

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Cor A 1.05011

Entities:

Entity 1, Cor A 1.0501 160 residues - Formula weight is not available

1   METGLYVALHISTHRLEUSERASPGLUPHE
2   THRSERPROILEPROALAPROLYSLEUPHE
3   LYSALALEUILELEUASPALAASPASNLEU
4   LEUPROLYSLEULEUPROGLNALAILELYS
5   SERILEGLUTHRILEGLUGLYASPGLYGLY
6   PROGLYTHRILELYSLYSILETHRILEALA
7   GLUGLYTHRHISILELYSHISLEULYSHIS
8   ARGILEASPALAVALGLUGLUGLULYSLEU
9   THRTYRSERTYRTHRLEUILEGLUGLYASP
10   ASPLEULEUASPLYSPHEGLUSERILESER
11   TYRGLUILELYSPHEGLUSERSERPROASP
12   GLYGLYALALYSCYSTHRASNLEUSERLYS
13   TYRHISPROLYSPROGLYVALGLNILEASN
14   GLUGLUGLUILELYSALASERLYSGLULYS
15   GLYMETALAVALTYRARGALAVALGLUALA
16   PHELEULEUALAASNPROGLUALATYRALA

Samples:

sample_1: Cor A 1.0501, [U-99% 13C; U-99% 15N], 300 uM; sodium chloride 50 mM; sodium phosphate 10 mM

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCACONHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMRViewJ - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 700 MHz
  • Bruker AVANCE III 900 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks