BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30378

Title: Structure of a new ShKT peptide from the sea anemone Oulactis sp.   PubMed: 29772211

Deposition date: 2017-12-10 Original release date: 2018-05-24

Authors: Krishnarjuna, B.; Norton, R.

Citation: Krishnarjuna, Bankala; Villegas-Moreno, Jessica; Mitchell, Michela; Csoti, Agota; Peigneur, Steve; Amero, Carlos; Pennington, Michael; Tytgat, Jan; Panyi, Gyorgy; Norton, Raymond. "Synthesis, folding, structure and activity of a predicted peptide from the sea anemone Oulactis sp. with an ShKT fold"  Toxicon 150, 50-59 (2018).

Assembly members:
entity_1, polymer, 36 residues, 3790.266 Da.

Natural source:   Common Name: sea anemones   Taxonomy ID: 308031   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Oulactis not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: ACKDNLPAATCSNVKANNNC SSEKYKTNCAKTCGEC

Data sets:
Data typeCount
15N chemical shifts39
1H chemical shifts218

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 36 residues - 3790.266 Da.

1   ALACYSLYSASPASNLEUPROALAALATHR
2   CYSSERASNVALLYSALAASNASNASNCYS
3   SERSERGLULYSTYRLYSTHRASNCYSALA
4   LYSTHRCYSGLYGLUCYS

Samples:

sample_1: peptide 1 mM

sample_conditions_1: pH: 3.8; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

Analysis, CCPN - chemical shift assignment, peak picking

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

  • Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts