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 30168

Title: Initial Topology of the globular isomer of PnID

Authors: Bingham, J.; Espiritu, M.

Citation: Espiritu, M.; Sugai, C.; Thapa, P.; Niemczura, W.; Baoanan, Z.; Baumann, M.; Bingham, J.. "PnID, A novel chi conotoxin which exists as native isomers and is capable of forming unique globular topologies"  . ., .-..

Assembly members:
Chi-conotoxin-like PnMRCL-013, polymer, 13 residues, 1321.636 Da.

Natural source:   Common Name: Feathered cone   Taxonomy ID: 37335   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus pennaceus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Chi-conotoxin-like PnMRCL-013: STCCGYRMCVPCX

Data sets:
Data typeCount
1H chemical shifts71

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 13 residues - 1321.636 Da.

1   SERTHRCYSCYSGLYTYRARGMETCYSVAL
2   PROCYSNH2

Samples:

sample_1: HCl, None, 0.1 mM; SER-THR-CYS-CYS-GLY-TYR-ARG-MET-CYS-VAL-PRO-CYS, None, 4 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 mM; pH: 3.1; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1
2D 1H-1H TOCSYsample_1anisotropicsample_conditions_1
1D DPFGsample_1anisotropicsample_conditions_1
2D DQF-COSYsample_1anisotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

YASARA v15.10.18, Elmar Krieger, Elmar, Kreiger - refinement, structure calculation

NMR spectrometers:

  • Varian UNITY 500 MHz

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