BMRB Entry 34485

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34485
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Title:
NMR solution structure of alpha-AnmTX-Ms11a-2 (Ms11a-2)
Deposition date:
2020-01-30
Original release date:
2021-02-04
Authors:
Mineev, K.; Kornilov, F.; Lushpa, V.; Logashina, Y.; Maleeva, E.; Andreev, Y.
Citation:

Citation: Kornilov, F.. "NMR solution structure of alpha-AnmTX-Ms11a-2 (Ms11a-2)"  .

Assembly members:

Assembly members:
entity_1, polymer, 40 residues, 4670.467 Da.

Natural source:

Natural source:   Common Name: brown sea anemone   Taxonomy ID: 6116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Metridium senile

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)   Vector: pET-32b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GCKNLNSHCYRQHRECCHGL VCRRPNYGNGRGILWKCVRA

Data sets:
Data typeCount
13C chemical shifts118
15N chemical shifts37
1H chemical shifts267

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 40 residues - 4670.467 Da.

1   GLYCYSLYSASNLEUASNSERHISCYSTYR
2   ARGGLNHISARGGLUCYSCYSHISGLYLEU
3   VALCYSARGARGPROASNTYRGLYASNGLY
4   ARGGLYILELEUTRPLYSCYSVALARGALA

Samples:

sample_1: peptide 1.1 ± 0.02 mM

sample_2: peptide 1.1 ± 0.02 mM

sample_conditions_1: ionic strength: 0 mM; pH: 5.2; pressure: 1 atm; temperature: 303 K

sample_conditions_2: ionic strength: 0 mM; pH: 5.2 pD; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D DQF-COSYsample_2isotropicsample_conditions_2
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_2

Software:

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation

MOLMOL v2K.2, Koradi, Billeter and Wuthrich - data analysis

CARA v1.9.1.7, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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