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 25755

Title: NMR structure of non-sweet mutant (ins18RI19) of sweet protein Brazzein

Deposition date: 2015-08-14 Original release date: 2016-08-15

Authors: Singarapu, Kiran; Tonelli, Marco; Markley, John; Assadi-Porter, Fariba

Citation: Singarapu, Kiran; Tonelli, Marco; Markley, John; Assadi-Porter, Fariba. "NMR structure of non-sweet mutant (ins18RI19) of sweet protein Brazzein"  To be Published ., .-..

Assembly members:
Brz_RI, polymer, 56 residues, 6778.738 Da.

Natural source:   Common Name: eudicots   Taxonomy ID: 43545   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Pentadiplandra brazzeana

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

Entity Sequences (FASTA):
Brz_RI: QDKCKKVYENYPVSKCQLRI ANQCNYDCKLDKHARSGECF YDEKRNLQCICDYCEY

Data sets:
Data typeCount
13C chemical shifts159
15N chemical shifts59
1H chemical shifts359

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 56 residues - 6778.738 Da.

1   GLNASPLYSCYSLYSLYSVALTYRGLUASN
2   TYRPROVALSERLYSCYSGLNLEUARGILE
3   ALAASNGLNCYSASNTYRASPCYSLYSLEU
4   ASPLYSHISALAARGSERGLYGLUCYSPHE
5   TYRASPGLULYSARGASNLEUGLNCYSILE
6   CYSASPTYRCYSGLUTYR

Samples:

sample_1: Brz_RI, [U-100% 13C; U-100% 15N], 1.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 M; pH: 5.2; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

Molmol, Koradi, Billeter and Wuthrich - data analysis

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

PSVS, Bhattacharya and Montelione - data analysis

SPARKY, Goddard - data analysis

TALOS, Cornilescu, Delaglio and Bax - structure solution

XEASY, Bartels et al. - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

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