BMRB Entry 30179
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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/BMR30179
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Title: The Solution Structure of the Magnesium-bound Conantokin-R1B Mutant PubMed: 27981829
Deposition date: 2016-09-12 Original release date: 2017-06-23
Authors: Castellino, F.; Yuan, Y.
Citation: Yuan, Yue; Balsara, Rashna; Zajicek, Jaroslav; Kunda, Shailaja; Castellino, Francis. "Discerning the Role of the Hydroxyproline Residue in the Structure of Conantokin Rl-B and Its Role in GluN2B Subunit-Selective Antagonistic Activity toward N-Methyl-d-Aspartate Receptors." Biochemistry 55, 7112-7122 (2016).
Assembly members:
entity_1, polymer, 20 residues, 2360.336 Da.
Natural source: Common Name: Conus rolani Taxonomy ID: 745791 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus rolani
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GEXXLAXKAAXFARXLANYX
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 61 |
| 15N chemical shifts | 19 |
| 1H chemical shifts | 109 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 20 residues - 2360.336 Da.
| 1 | GLY | GLU | CGU | CGU | LEU | ALA | CGU | LYS | ALA | ALA | |
| 2 | CGU | PHE | ALA | ARG | CGU | LEU | ALA | ASN | TYR | NH2 |
Samples:
sample_1: entity_1 mM; HEPES, [U-2H], 20 mM; Magnesium Chloride 20 mM
sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - peak picking
TOPSPIN, Bruker Biospin - chemical shift assignment, collection, processing
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMR spectrometers:
- Bruker AvanceII 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts