BMRB Entry 31126
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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/BMR31126
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Title: TxVIIB,U-superfamily conotoxin
Deposition date: 2023-11-09 Original release date: 2024-03-18
Authors: Raffaelli, T.; Daly, N.
Citation: Raffaelli, T.; Daly, N.; Wilson, D.; Dutertre, S.; Giribaldi, J.; Vetter, I.; Robinson, S.; Thapa, A.; Widi, A.; Loukas, A.. "Structural analysis of a U-superfamily conotoxin containing a mini-granulin fold: Insights into key features that distinguish between the ICK and granulin folds" .
Assembly members:
entity_1, polymer, 23 residues, 2495.939 Da.
Natural source: Common Name: cloth-of-gold cone Taxonomy ID: 6494 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus textile
Experimental source: Production method: .
Entity Sequences (FASTA):
entity_1: NCPYCVVYCCPPAYCQASGC
RPP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 64 |
| 15N chemical shifts | 18 |
| 1H chemical shifts | 139 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 23 residues - 2495.939 Da.
| 1 | ASN | CYS | PRO | TYR | CYS | VAL | VAL | TYR | CYS | CYS | ||||
| 2 | PRO | PRO | ALA | TYR | CYS | GLN | ALA | SER | GLY | CYS | ||||
| 3 | ARG | PRO | PRO |
Samples:
sample_1: TxVIIB 0.2 mM
sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 290 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D COSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
TopSpin v3.98.15, Bruker Biospin - collection
CcpNmr Analysis v3.98.15, CCPN - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts