BMRB Entry 34619

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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/BMR34619
MolProbity Validation Chart

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Title:
NMR structure of the Anemonia erythraea AeTX-K toxin
Deposition date:
2021-04-28
Original release date:
2022-04-01
Authors:
Qasim, A.; Qassem, N.; Chill, J.
Citation:

Citation: Zhao, Ruiming; Qasim, Arwa; Sophanpanichkul, Punyanuch; Dai, Hui; Nayak, Maha; Sher, Inbal; Chill, Jordan; Goldstein, Steve. "Selective block of human Kv1.1 channels and an epilepsy-associated gain-of-function mutation by AETX-K peptide"  FASEB J. 38, e23381-e23381 (2024).
PubMed: 38102952

Assembly members:

Assembly members:
entity_1, polymer, 34 residues, 3998.740 Da.

Natural source:

Natural source:   Common Name: Sea anemone   Taxonomy ID: 48400   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Anemonia erythraea

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21   Vector: pET-32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ACKDYLPKSECTQFRCRTSM KYKYTNCKKTCGTC

Data sets:
Data typeCount
13C chemical shifts42
15N chemical shifts29
1H chemical shifts196

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 34 residues - 3998.740 Da.

1   ALACYSLYSASPTYRLEUPROLYSSERGLU
2   CYSTHRGLNPHEARGCYSARGTHRSERMET
3   LYSTYRLYSTYRTHRASNCYSLYSLYSTHR
4   CYSGLYTHRCYS

Samples:

sample_1: D2O, [U-99% 2H], 7%; H2O 93%; sodium azide 0.01%; sodium phosphate 20 mM; sodium chloride 10 mM; AeTX-K toxin, [U-98% 15N], 0.4 mM

sample_2: D2O, [U-99% 2H], 7%; H2O 93%; sodium azide 0.01%; sodium phosphate 20 mM; sodium chloride 10 mM; AeTX-K toxin 0.4 mM

sample_3: D2O, [U-99% 2H], 100%; sodium azide 0.01%; sodium phosphate 20 mM; sodium chloride 10 mM; AeTX-K toxin 0.4 mM

sample_conditions_1: ionic strength: 46 mM; pH: 5.7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_3isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1
2D 1H-1H COSYsample_3isotropicsample_conditions_1
2D 1H-13C HMQCsample_3isotropicsample_conditions_1

Software:

TopSpin v3.6, Bruker Biospin - chemical shift assignment, collection, data analysis, peak picking

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

NMR spectrometers:

  • Bruker DRX700 700 MHz

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