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 30420

Title: Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p2

Deposition date: 2018-02-28 Original release date: 2019-03-01

Authors: Sunanda, P.; Krishnarjuna, B.; Norton, R.

Citation: Sunanda, P.; Krishnarjuna, B.; Norton, R.. "Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p2"  .

Assembly members:
entity_1, polymer, 36 residues, 3801.426 Da.

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

Experimental source:   Production method: na

Entity Sequences (FASTA):
entity_1: ACKDVFPAATCRHAKSVGNC SSEKYKRNCAITCGAC

Data sets:
Data typeCount
15N chemical shifts38
1H chemical shifts224

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 - 3801.426 Da.

1   ALACYSLYSASPVALPHEPROALAALATHR
2   CYSARGHISALALYSSERVALGLYASNCYS
3   SERSERGLULYSTYRLYSARGASNCYSALA
4   ILETHRCYSGLYALACYS

Samples:

sample_1: OspTx2a-p2 1 mM

sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CcpNMR, CCPN - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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