BMRB Entry 30168
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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/BMR30168
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Title: Initial Topology of the globular isomer of PnID
Deposition date: 2016-09-01 Original release date: 2017-08-31
Authors: Bingham, J.; Espiritu, M.
Citation: Espiritu, M.; Sugai, C.; Thapa, P.; Niemczura, W.; Baoanan, Z.; Baumann, M.; Bingham, J.. "PnID, A novel chi conotoxin which exists as native isomers and is capable of forming unique globular topologies" . ., .-..
Assembly members:
Chi-conotoxin-like PnMRCL-013, polymer, 13 residues, 1321.636 Da.
Natural source: Common Name: Feathered cone Taxonomy ID: 37335 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus pennaceus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Chi-conotoxin-like PnMRCL-013: STCCGYRMCVPCX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 71 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 13 residues - 1321.636 Da.
| 1 | SER | THR | CYS | CYS | GLY | TYR | ARG | MET | CYS | VAL | ||||
| 2 | PRO | CYS | NH2 |
Samples:
sample_1: HCl, None, 0.1 mM; SER-THR-CYS-CYS-GLY-TYR-ARG-MET-CYS-VAL-PRO-CYS, None, 4 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.1 mM; pH: 3.1; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 1D DPFG | sample_1 | anisotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | anisotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
YASARA v15.10.18, Elmar Krieger, Elmar, Kreiger - refinement, structure calculation
NMR spectrometers:
- Varian UNITY 500 MHz