BMRB Entry 25465

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25465
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
ConRlBNQO
Deposition date:
2015-02-04
Original release date:
2015-06-15
Authors:
Yuan, Yue
Citation:

Citation: Kunda, Shailaja; Yuan, Yue; Balsara, Rashna; Zajicek, Jaroslav; Castellino, Francis. "Hydroxyproline-induced Helical Disruption in Conantokin Rl-B Affects Subunit-selective Antagonistic Activities toward Ion Channels of N-Methyl-d-aspartate Receptors"  J. Biol. Chem. 290, 18156-18172 (2015).
PubMed: 26048991

Assembly members:

Assembly members:
entity, polymer, 18 residues, 2113.162 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: GEXXLAXNQXFARXLANX

Data sets:
Data typeCount
13C chemical shifts67
15N chemical shifts19
1H chemical shifts105

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 18 residues - 2113.162 Da.

1   GLYGLUCGUCGULEUALACGUASNGLNCGU
2   PHEALAARGCGULEUALAASNNH2

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 2.0 mM; HEPES, [U-100% 2H], 10 mM; DSS 0.1%; magnesium chloride 40 mM; sodium chloride 10 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

TOPSPIN, Bruker Biospin - chemical shift assignment

SPARKY, Goddard - peak picking

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - structure solution

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz

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