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 25758

Title: NMR structure of the de-novo toxin Hui1   PubMed: 26627718

Authors: Mendelman, Netanel; Zhao, Ruiming; Goldstein, Steven; Chill, Jordan

Citation: Zhao, R.; Cuello, L.; Mendelman, N.; Chill, J.; Goldstein, S.. "Designer and natural peptide toxin blockers of the KcsA potassium channel identified by phage display"  Proc. Natl. Acad. Sci. U. S. A. 112, 7013-7021 (2015).

Assembly members:
Hui1, polymer, 34 residues, 3988.796 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Hui1: ACKDYLPKSECTQFRCRTSM KYRLNLCKKTCGTC

Data sets:
Data typeCount
13C chemical shifts49
15N chemical shifts31
1H chemical shifts199

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Hui11

Entities:

Entity 1, Hui1 34 residues - 3988.796 Da.

1   ALACYSLYSASPTYRLEUPROLYSSERGLU
2   CYSTHRGLNPHEARGCYSARGTHRSERMET
3   LYSTYRARGLEUASNLEUCYSLYSLYSTHR
4   CYSGLYTHRCYS

Samples:

sample_1: sodium phosphate 20 mM; sodium chloride 10 mM; D2O 7%; H2O 93%; Hui1 0.6 mM; sodium azide 0.02%

sample_2: sodium phosphate 20 mM; sodium chloride 10 mM; sodium azide 0.02%; D2O 99.9%; Hui1 0.6 mM

sample_conditions_1: ionic strength: 54 mM; pH: 6.6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D_1H-NOESYsample_1isotropicsample_conditions_1
2D_1H-15N HSQCsample_1isotropicsample_conditions_1
2D_1H-13C-HMQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D_1H-NOESYsample_2isotropicsample_conditions_1
2D_1H-15N HSQCsample_2isotropicsample_conditions_1
2D_1H-13C-HMQCsample_2isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

NMR spectrometers:

  • Bruker DRX 700 MHz

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