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 18281

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18281
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry

Title: Solution Structure of Strawberry Allergen Fra a 1e   PubMed: 22913709

Deposition date: 2012-02-20 Original release date: 2012-03-22

Authors: Seutter von Loetzen, Christian; Hartl-Spiegelhauer, Olivia; Schweimer, Kristian; Schwab, Wilfried; Roesch, Paul

Citation: Seutter von Loetzen, Christian; Schweimer, Kristian; Schwab, Wilfried; Rosch, Paul; Hartl-Spiegelhauer, Olivia. "Solution structure of the strawberry allergen Fra a 1."  Biosci. Rep. 32, 567-575 (2012).

Assembly members:
entity, polymer, 170 residues, 17664.115 Da.

Natural source:   Common Name: Strawberry   Taxonomy ID: 3747   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Fragaria ananassa

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

Entity Sequences (FASTA):
entity: MGVYTYENEFTSDIPAPKLF KAFVLDADNLIPKIAPQAVK CAEILEGDGGPGTIKKITFG EGSHYGYVKHKIHSIDKVNH TYSYSLIEGDALSENIEKID YETKLVSAPHGGTIIKTTSK YHTKGDVEIKEEHVKAGKEK AAHLFKLIEGYLKDHPSEYN GSRSHHHHHH

Data sets:
Data typeCount
13C chemical shifts609
15N chemical shifts144
1H chemical shifts982

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Strawberry1

Entities:

Entity 1, Strawberry 170 residues - 17664.115 Da.

1   METGLYVALTYRTHRTYRGLUASNGLUPHE
2   THRSERASPILEPROALAPROLYSLEUPHE
3   LYSALAPHEVALLEUASPALAASPASNLEU
4   ILEPROLYSILEALAPROGLNALAVALLYS
5   CYSALAGLUILELEUGLUGLYASPGLYGLY
6   PROGLYTHRILELYSLYSILETHRPHEGLY
7   GLUGLYSERHISTYRGLYTYRVALLYSHIS
8   LYSILEHISSERILEASPLYSVALASNHIS
9   THRTYRSERTYRSERLEUILEGLUGLYASP
10   ALALEUSERGLUASNILEGLULYSILEASP
11   TYRGLUTHRLYSLEUVALSERALAPROHIS
12   GLYGLYTHRILEILELYSTHRTHRSERLYS
13   TYRHISTHRLYSGLYASPVALGLUILELYS
14   GLUGLUHISVALLYSALAGLYLYSGLULYS
15   ALAALAHISLEUPHELYSLEUILEGLUGLY
16   TYRLEULYSASPHISPROSERGLUTYRASN
17   GLYSERARGSERHISHISHISHISHISHIS

Samples:

sample_1: Strawberry, [U-99% 13C; U-99% 15N], 700 uM; sodium chloride 150 mM; HEPES 20 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 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 HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

xwinnmr v3.6, Bruker Biospin - collection

NMRView, Johnson, One Moon Scientific - data analysis

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
EMBL CAJ29538 CAJ85639 CAJ85640 CAJ85641 CAJ85643
GB ABD39049
REF XP_004296887

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