BMRB Entry 18710

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18710
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Refined solution structure of recombinant brazzein at low temperature
Deposition date:
2012-09-12
Original release date:
2012-10-15
Authors:
Cornilescu, Claudia; Cornilescu, Gabriel; Tonelli, Marco; Markley, John; Assadi-Porter, Fariba
Citation:

Citation: Cornilescu, Claudia; Cornilescu, Gabriel; Rao, Hongyu; Porter, Sarah; Tonelli, Marco; Derider, Michele; Markley, John; Assadi-Porter, Fariba. "Temperature-dependent conformational change affecting Tyr11 and sweetness loops of brazzein."  Proteins 81, 919-925 (2013).
PubMed: 23349025

Assembly members:

Assembly members:
entity, polymer, 53 residues, 6380.253 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET24d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: DKCKKVYENYPVSKCQLANQ CNYDCKLDKHARSGECFYDE KRNLQCICDYCEY

Data sets:
Data typeCount
13C chemical shifts223
15N chemical shifts59
1H chemical shifts328

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1recombinant brazzein1

Entities:

Entity 1, recombinant brazzein 53 residues - 6380.253 Da.

1   ASPLYSCYSLYSLYSVALTYRGLUASNTYR
2   PROVALSERLYSCYSGLNLEUALAASNGLN
3   CYSASNTYRASPCYSLYSLEUASPLYSHIS
4   ALAARGSERGLYGLUCYSPHETYRASPGLU
5   LYSARGASNLEUGLNCYSILECYSASPTYR
6   CYSGLUTYR

Samples:

sample_1: brazzein, [U-13C; U-15N], 1 – 2 mM; sodium chloride 5 ± 0.1 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 5 mM; pH: 5.2; pressure: 1 atm; temperature: 273 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 C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

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

PIPP, Garrett - chemical shift assignment, data analysis, peak picking

TALOS, Cornilescu, Delaglio and Bax - backbone torsion angles

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

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 16215 16978 4067
PDB
GB ACK76425 AGM38242
SP P56552
AlphaFold P56552

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