BMRB Entry 30385

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30385
MolProbity Validation Chart

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

Title:
Solution structure of conotoxin reg3b
Deposition date:
2017-12-18
Original release date:
2018-01-19
Authors:
Mari, F.; Dovell, S.
Citation:

Citation: Franco, Aldo; Dovell, Sanaz; Moller, Carolina; Grandal, Meghan; Clark, Evan; Mari, Frank. "Structural plasticity of mini-M conotoxins - expression of all mini-M subtypes by Conus regius."  FEBS J. 285, 887-902 (2018).
PubMed: 29283511

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, 1678.076 Da.

Natural source:

Natural source:   Common Name: Crown cone   Taxonomy ID: 101314   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus regius

Experimental source:

Experimental source:   Production method: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CCTALCSRYHCLPCC

Data sets:
Data typeCount
1H chemical shifts86

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 15 residues - 1678.076 Da.

1   CYSCYSTHRALALEUCYSSERARGTYRHIS
2   CYSLEUPROCYSCYS

Samples:

sample_1: reg3b 1.275 mM; D2O, [U-99% 2H], 10%; TSP 0.025 mM; H2O 90%

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: pH: 3.5; pressure: 1 atm; temperature: 273 K

sample_conditions_3: pH: 3.5; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D_NOESYsample_1isotropicsample_conditions_1
2D_TOCSYsample_1isotropicsample_conditions_1
DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_3
2D 1H-1H NOESYsample_1isotropicsample_conditions_3
1D 1H exchangesample_1isotropicsample_conditions_3

Software:

VNMR, Varian - processing

X-PLOR NIH v2.21, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

SPARKY, Goddard - chemical shift assignment, peak picking

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

AQUA, Rullmann, Doreleijers and Kaptein - data analysis

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis

NMR spectrometers:

  • Varian INOVA 900 MHz
  • Varian INOVA 500 MHz