BMRB Entry 16705

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16705

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Title:
SPI2 (T7A)
Deposition date:
2010-02-03
Original release date:
2012-08-03
Authors:
Nowicka, Ursula; Grzelak, Krystyna; Zagorski-Ostoja, Wlodzimierz; Kludkiewicz, Barbara; Zhukov, Igor
Citation:

Citation: Nowicka, Ursula; Kludkiewicz, Barbara; Grzelak, Krystyna; Zagorski-Ostoja, Wlodzimierz; Zhukov, Igor. "High-resolution structure of atypical serine proteinase inhibitors by means of NMR spectroscopy"  .

Assembly members:

Assembly members:
SPI2 (T7A), polymer, 45 residues, 5003.475 Da.

Natural source:

Natural source:   Common Name: greater wax moth   Taxonomy ID: 7137   Superkingdom: Eukarota   Kingdom: Metazoa   Genus/species: Galleria Mellonella

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SPI2 (T7A): EAAVCTAEWDPVCGKDGKTY SNLCWLNEAGVGLDHEGECH HHHHH

Data sets:
Data typeCount
13C chemical shifts82
15N chemical shifts41
1H chemical shifts246

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SPI2 (T7A)1

Entities:

Entity 1, SPI2 (T7A) 45 residues - 5003.475 Da.

1   GLUALAALAVALCYSTHRALAGLUTRPASP
2   PROVALCYSGLYLYSASPGLYLYSTHRTYR
3   SERASNLEUCYSTRPLEUASNGLUALAGLY
4   VALGLYLEUASPHISGLUGLYGLUCYSHIS
5   HISHISHISHISHIS

Samples:

sample_1: entity 0.8 mM; H2O 90%; D2O 10%; NaCl 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

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

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Varian UnityPlus 500 MHz
  • Varian Uniform NMR System 800 MHz

Related Database Links:

BMRB 16703 16704 19085
PDB

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