BMRB Entry 31255

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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/BMR31255
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Title:
Solution NMR structure of contoxin ArXa
Deposition date:
2025-06-25
Original release date:
2026-07-30
Authors:
Gonzalez, T.; Rosengren, K.
Citation:

Citation: Belleza, O.; Gonzalez, T.; Rosengren, K.; Sitte, H.. "chi-ArXA is a selective allosteric modulator of the norepinephrine transporter with anti-nociceptive activity "  .

Assembly members:

Assembly members:
entity_1, polymer, 11 residues, 1319.643 Da.

Natural source:

Natural source:   Common Name: Cobweb cone   Taxonomy ID: 101286   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus araneosus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: RCCGYKMCHXC

Data sets:
Data typeCount
13C chemical shifts29
15N chemical shifts8
1H chemical shifts66

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 11 residues - 1319.643 Da.

1   ARGCYSCYSGLYTYRLYSMETCYSHISHYP
2   CYS

Samples:

sample_1: ArxA 2 ± 0.3 mg/mL

sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
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 v3.7.0, Bruker Biospin - collection, processing

CARA v1.9.1, Keller and Wuthrich - chemical shift assignment

CYANA v3.98.15, Guntert, Mumenthaler and Wuthrich - structure calculation

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

NMR spectrometers:

  • Bruker AVANCE III HD 700 MHz

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