BMRB Entry 31054

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31054
MolProbity Validation Chart

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Title:
Structure of elevenin-Vc1 from venom of the Australian cone snail Conus victoriae
Deposition date:
2022-11-01
Original release date:
2023-09-06
Authors:
Krishnarjuna, B.; Sunanda, P.; Norton, R.
Citation:

Citation: Krishnarjuna, Bankala; Sunanda, Punnepalli; Seow, Jeffrey; Tae, Han-Shen; Robinson, Samuel; Belgi, Alessia; Robinson, Andrea; Safavi-Hemami, Helena; Adams, David; Norton, Raymond. "Characterisation of Elevenin-Vc1 from the Venom of Conus victoriae: A Structural Analogue of alpha-Conotoxins"  Mar. Drugs 21, 81-81 (2023).
PubMed: 36827123

Assembly members:

Assembly members:
entity_1, polymer, 19 residues, 2125.605 Da.

Natural source:

Natural source:   Common Name: Conus victoriae   Taxonomy ID: 319920   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus victoriae

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: RRIDCKVFVFAPICRGVAA

Data sets:
Data typeCount
13C chemical shifts35
15N chemical shifts19
1H chemical shifts141

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 19 residues - 2125.605 Da.

1   ARGARGILEASPCYSLYSVALPHEVALPHE
2   ALAPROILECYSARGGLYVALALAALA

Samples:

sample_1: Elevenin-Cv1 0.8 mM

sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
1D protonsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - collection, data analysis

CcpNmr Analysis, CCPN - chemical shift assignment, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker Avance 600 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks