BMRB Entry 34335
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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/BMR34335
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Title: H-Vc7.2, H-superfamily conotoxin PubMed: 30975904
Deposition date: 2018-12-10 Original release date: 2019-04-11
Authors: Nielsen, L.; Foged, M.; Teilum, K.; Ellgaard, L.
Citation: Nielsen, Lau; Foged, Mads; Albert, Anastasia; Bertelsen, Andreas; Soltoft, Cecilie; Robinson, Samuel; Petersen, Steen; Purcell, Anthony; Olivera, Baldomero; Norton, Raymond; Vasskog, Terje; Safavi-Hemami, Helena; Teilum, Kaare; Ellgaard, Lars. "The three-dimensional structure of an H-superfamily conotoxin reveals a granulin fold arising from a common ICK cysteine framework" J. Biol. Chem. 294, 8745-8759 (2019).
Assembly members:
entity_1, polymer, 29 residues, 3112.570 Da.
Natural source: Common Name: Queen Victoria cone Taxonomy ID: 319920 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus victoriae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: GAMGNVNCGGVPCKFGCCRE
DRCREIDCD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 63 |
| 15N chemical shifts | 22 |
| 1H chemical shifts | 149 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 29 residues - 3112.570 Da.
| 1 | GLY | ALA | MET | GLY | ASN | VAL | ASN | CYS | GLY | GLY | ||||
| 2 | VAL | PRO | CYS | LYS | PHE | GLY | CYS | CYS | ARG | GLU | ||||
| 3 | ASP | ARG | CYS | ARG | GLU | ILE | ASP | CYS | ASP |
Samples:
sample_1: H-Vc7.2 1 mM; Na-phosphate 25 mM
sample_2: H-Vc7.2, [U-13C; U-15N], 1 mM; Na-phosphate 25 mM
sample_conditions_1: ionic strength: 25 mM; pH: 6.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
Analysis, CCPN - chemical shift assignment
NMR spectrometers:
- Bruker AvanceIII 600 MHz
- Bruker AvanceIII 750 MHz
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