BMRB Entry 25490
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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/BMR25490
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Title: Structure of Conantokin Rl-B PubMed: 26048991
Deposition date: 2015-02-14 Original release date: 2015-06-15
Authors: Castellino, Francis; Yuan, Yue; Kunda, Shailaja; Zajicek, Jaroslav
Citation: Castellino, Francis; Yuan, Yue; Kunda, Shailaja; Zajicek, Jaroslav. "Hydroxyproline-induced Helical Disruption in Conantokin Rl-B Affects Subunit-selective Antagonistic Activities Toward Ion Channels of NMDA Receptors" J. Biol. Chem. 290, 18156-18172 (2015).
Assembly members:
Conantokin_Rl-B, polymer, 19 residues, 2184.304 Da.
Natural source: Common Name: gastropods Taxonomy ID: 745791 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus rolani
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Conantokin_Rl-B: GEXXLAXKAXXFARXLANX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 74 |
| 15N chemical shifts | 18 |
| 1H chemical shifts | 113 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Conantokin Rl-B | 1 |
Entities:
Entity 1, Conantokin Rl-B 19 residues - 2184.304 Da.
| 1 | GLY | GLU | CGU | CGU | LEU | ALA | CGU | LYS | ALA | HYP | ||||
| 2 | CGU | PHE | ALA | ARG | CGU | LEU | ALA | ASN | NH2 |
Samples:
sample_1: entity 2 mM; HEPES, [U-100% 2H], 10 mM; DSS 0.01 mg/mL; sodium chloride 10 mM; magnesium chloride 40 mM; D2O, [U-100% 2H], 5%; H2O, [U-100% 2H], 95%
sample_conditions_1: ionic strength: 10 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
SPARKY, Goddard - peak picking
TOPSPIN, Bruker Biospin - chemical shift assignment
TALOS, Cornilescu, Delaglio and Bax - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts