BMRB Entry 34486

Title:
NMR solution structure of alpha-AnmTX- Ms11a-3 (Ms11a-3)
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-3 (Ms11a-3)"  TO BE PUBLISHED ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 42 residues, 4936.888 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: GCKKLNSYCTRQHRECCHGL VCRRPDYGIGRGILWKCTRA RK

Data sets:
Data typeCount
13C chemical shifts142
15N chemical shifts50
1H chemical shifts304

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 42 residues - 4936.888 Da.

1   GLYCYSLYSLYSLEUASNSERTYRCYSTHR
2   ARGGLNHISARGGLUCYSCYSHISGLYLEU
3   VALCYSARGARGPROASPTYRGLYILEGLY
4   ARGGLYILELEUTRPLYSCYSTHRARGALA
5   ARGLYS

Samples:

sample_1: peptide 1.4 mM

sample_conditions_1: pH: 4.5; 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-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

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

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

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

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