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Biological Magnetic Resonance Data Bank


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BMRB Entry 25590

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25590
MolProbity Validation Chart

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Title: 1H, 13C and 15N resonance assignments and second structure information of Fag s 1: Fagales allergen from Fagus sylvatica   PubMed: 26289775

Deposition date: 2015-04-30 Original release date: 2017-08-07

Authors: Moraes, Adolfo; Asam, Claudia; Batista, Aline; Almeida, Fabio; Wallner, Michael; Ferreira, Fatima; Valente, Ana Paula

Citation: Moraes, A; Asam, C; Batista, A; Almeida, F; Wallner, M; Ferreira, F; Valente, A. "1H, 13C and 15N resonance assignments and second structure information of Fag s 1: Fagales allergen from Fagus sylvatica"  Biomol. NMR Assign. 10, 45-48 (2016).

Assembly members:
Fag_s_1, polymer, 159 residues, Formula weight is not available

Natural source:   Common Name: European beech   Taxonomy ID: 28930   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Fagus sylvatica

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

Entity Sequences (FASTA):
Fag_s_1: GVFTYESETTTVITPARLFK AFVLDADNLIPKVAPQAIKS SEIIEGSGGPGTIKKITFGE GSQFNYVKHRIDEIDNANFT YACTLIEGDAISETLEKIAY EIKLVASPDGGSILKSTSKY HTKGDHEIKEDQIKAGKEEA SGIFKAVEAYLLANPAAYH

Data sets:
Data typeCount
13C chemical shifts652
15N chemical shifts150
1H chemical shifts1076

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Fag s 11

Entities:

Entity 1, Fag s 1 159 residues - Formula weight is not available

1   GLYVALPHETHRTYRGLUSERGLUTHRTHR
2   THRVALILETHRPROALAARGLEUPHELYS
3   ALAPHEVALLEUASPALAASPASNLEUILE
4   PROLYSVALALAPROGLNALAILELYSSER
5   SERGLUILEILEGLUGLYSERGLYGLYPRO
6   GLYTHRILELYSLYSILETHRPHEGLYGLU
7   GLYSERGLNPHEASNTYRVALLYSHISARG
8   ILEASPGLUILEASPASNALAASNPHETHR
9   TYRALACYSTHRLEUILEGLUGLYASPALA
10   ILESERGLUTHRLEUGLULYSILEALATYR
11   GLUILELYSLEUVALALASERPROASPGLY
12   GLYSERILELEULYSSERTHRSERLYSTYR
13   HISTHRLYSGLYASPHISGLUILELYSGLU
14   ASPGLNILELYSALAGLYLYSGLUGLUALA
15   SERGLYILEPHELYSALAVALGLUALATYR
16   LEULEUALAASNPROALAALATYRHIS

Samples:

sample_1: Fag_s_1 600 uM; sodium phosphate 10 mM; sodium chloride 150 mM; TFE, [U-100% 2H], 5%; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 0.187 M; pH: 7.8; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

CCPN vv2.4.1, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

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