BMRB Entry 30609
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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/BMR30609
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Title: THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF THE RIBBON DISULFIDE ISOMER OF THE NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST ALPHA-CONOTOXIN TxIA
Deposition date: 2019-05-02 Original release date: 2020-05-04
Authors: Clark, R.; Nicke, A.
Citation: El Hamdaoui, Y.; Wu, X.; Clark, R.; Garibaldi, J.; Anangi, R.; Craik, D.; King, G.; Dutertre, S.; Kaas, Q.; Herzig, V.; Nicke, A.. "Structural and functional analysis of E. Coli-expressed 4/7 alpha-conotoxin analogues reveals preferential formation of ribbon isomers" .
Assembly members:
entity_1, polymer, 16 residues, 1663.941 Da.
Natural source: Common Name: Cloth-of-gold cone Taxonomy ID: 6494 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus textile"
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GCCSRPPCIANNPDLC
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 39 |
| 15N chemical shifts | 14 |
| 1H chemical shifts | 95 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 16 residues - 1663.941 Da.
| 1 | GLY | CYS | CYS | SER | ARG | PRO | PRO | CYS | ILE | ALA | ||||
| 2 | ASN | ASN | PRO | ASP | LEU | CYS |
Samples:
sample_1: ribbon TxIA 2 mg/L
sample_2: ribbon TxIA 2 mg/mL
sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 280 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | 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:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation
CcpNmr Analysis, CCPN - data analysis
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts