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 19085

Title: Novel method of protein purification for structural research. Example of ultra high resolution structure of SPI-2 inhibitor by X-ray and NMR spectroscopy.

Deposition date: 2013-03-12 Original release date: 2014-03-10

Authors: Lenarcic Zivkovic, Martina; Dvornyk, Angela; Kludkiewicz, Barbara; Kopera, Edyta; Zagorski-Ostoja, Wlodzimierz; Grzelak, Krystyna; Zhukov, Igor; Bal, Wojciech

Citation: Kopera, Edyta; Krzywda, Szymon; Lenarcic Zivkovic, Martina; Dvornyk, Angela; Kludkiewicz, Barbara; Grzelak, Krystyna; Zhukov, Igor; Zagorski-Ostoja, Wlodzimierz; Jaskolski, Mariusz; Bal, Wojciech. "Ultrahigh resolution protein structure enabled by a non-enzymatic tag removal method. X-ray and NMR study of SPI-2 inhibitor"  Not known ., .-..

Assembly members:
GmSPI_2, polymer, 40 residues, 4317.768 Da.

Natural source:   Common Name: Greater wax moth   Taxonomy ID: 7137   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Galleria mellonella

Experimental source:   Production method: recombinant technology   Host organism: Pichia pastoris

Entity Sequences (FASTA):
GmSPI_2: EAAVCTTEWDPVCGKDGKTY SNLCWLNEAGVGLDHEGECL

Data sets:
Data typeCount
13C chemical shifts96
15N chemical shifts42
1H chemical shifts241

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1SPI-2 inhibitor1

Entities:

Entity 1, SPI-2 inhibitor 40 residues - 4317.768 Da.

Non-native residues 1-3 and 40 originated from cloning procedures and protein processing in Pichia pastoris.

1   GLUALAALAVALCYSTHRTHRGLUTRPASP
2   PROVALCYSGLYLYSASPGLYLYSTHRTYR
3   SERASNLEUCYSTRPLEUASNGLUALAGLY
4   VALGLYLEUASPHISGLUGLYGLUCYSLEU

Samples:

sample_1: GmSPI 2 0.5 mM

sample_conditions_1: ionic strength: 50 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

No software information available

NMR spectrometers:

  • Varian Uniform NMR System 800 MHz

Related Database Links:

UNP Q968S7
BMRB 16703 16704 16705
PDB
GB AAK48526

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