BMRB Entry 30406

Title:
Solution NMR Structure of Conotoxin G117 from Conus geographus
Deposition date:
2018-02-12
Original release date:
2018-03-05
Authors:
Armstrong, D.; Rosengren, K.
Citation:

Citation: Armstrong, David; Jin, Ai-Hua; Braga Emidio, Nayara; Lewis, Richard; Alewood, Paul; Rosengren, K Johan. "Chemical Synthesis and NMR Solution Structure of Conotoxin GXIA from Conus geographus"  Mar. Drugs 19, 60-60 (2021).
PubMed: 33530397

Assembly members:

Assembly members:
entity_1, polymer, 32 residues, 3344.945 Da.

Natural source:

Natural source:   Common Name: Geography cone   Taxonomy ID: 6491   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus geographus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CAVTHEKCSDDYDCCGSLCC VGICAKTIAPCK

Data sets:
Data typeCount
13C chemical shifts66
15N chemical shifts29
1H chemical shifts170

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 32 residues - 3344.945 Da.

1   CYSALAVALTHRHISGLULYSCYSSERASP
2   ASPTYRASPCYSCYSGLYSERLEUCYSCYS
3   VALGLYILECYSALALYSTHRILEALAPRO
4   CYSLYS

Samples:

sample_1: conotoxin G117 1 mg/mL

sample_2: conotoxin G117 1 mg/mL

sample_conditions_1: ionic strength: 0 M; pH: 5.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H ECOSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1

Software:

CYANA v3.96, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz

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