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 30260

Title: Solution structure of arenicin-3 synthetic analog.

Deposition date: 2017-03-01 Original release date: 2018-07-31

Authors: Edwards, I.; Mobli, M.

Citation: Edwards, I.; Mobli, M.. "Solution structure of arenicin-3 synthetic analog."  . ., .-..

Assembly members:
entity_1, polymer, 21 residues, 2559.013 Da.

Natural source:   Common Name: lugworm   Taxonomy ID: 6344   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Arenicola marina

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GFCWYVCARRNGARVCYRRC N

Data sets:
Data typeCount
13C chemical shifts61
15N chemical shifts23
1H chemical shifts137

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 21 residues - 2559.013 Da.

1   GLYPHECYSTRPTYRVALCYSALAARGARG
2   ASNGLYALAARGVALCYSTYRARGARGCYS
3   ASN

Samples:

sample_1: AA139 2.5 mM

sample_conditions_1: pH: 3.3; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CYANA v3.0, Guntert P. - refinement

CcpNMR v2.4.1, CCPN - chemical shift assignment, peak picking, structure calculation

NMR spectrometers:

  • Bruker AvanceIII 700 MHz

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