BMRB Entry 19633
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19633
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Title: Solution structure of a EF-hand domain from sea urchin polycystin-2 PubMed: 24558196
Deposition date: 2013-11-22 Original release date: 2014-04-11
Authors: Kuo, Ivana; Keeler, Camille; Corbin, Rachel; Celic, Andjelka; Petri, Edward; Hodsdon, Michael; Ehrlich, Barbara
Citation: Kuo, Ivana; Keeler, Camille; Corbin, Rachel; Celic, Andjelka; Petri, Edward; Hodsdon, Michael; Ehrlich, Barbara. "The number and location of EF hand motifs dictates the calcium dependence of polycystin-2 function." FASEB J. ., .-. (2014).
Assembly members:
entity, polymer, 96 residues, 10744.843 Da.
Natural source: Common Name: purple sea urchin Taxonomy ID: 7668 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Strongylocentrotus purpuratus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GGLVPRGSHMASKRDKIADI
QEALAHADANADQHLDFDEW
RQELKCRGHADADIEAVFAK
YDVDGDRVLDAEEQMKMAHD
LEGQKSDLNNQLAELE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 386 |
| 15N chemical shifts | 104 |
| 1H chemical shifts | 596 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | EF-hand domain from sea urchin polycystin-2 | 1 |
Entities:
Entity 1, EF-hand domain from sea urchin polycystin-2 96 residues - 10744.843 Da.
| 1 | GLY | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | MET | ||||
| 2 | ALA | SER | LYS | ARG | ASP | LYS | ILE | ALA | ASP | ILE | ||||
| 3 | GLN | GLU | ALA | LEU | ALA | HIS | ALA | ASP | ALA | ASN | ||||
| 4 | ALA | ASP | GLN | HIS | LEU | ASP | PHE | ASP | GLU | TRP | ||||
| 5 | ARG | GLN | GLU | LEU | LYS | CYS | ARG | GLY | HIS | ALA | ||||
| 6 | ASP | ALA | ASP | ILE | GLU | ALA | VAL | PHE | ALA | LYS | ||||
| 7 | TYR | ASP | VAL | ASP | GLY | ASP | ARG | VAL | LEU | ASP | ||||
| 8 | ALA | GLU | GLU | GLN | MET | LYS | MET | ALA | HIS | ASP | ||||
| 9 | LEU | GLU | GLY | GLN | LYS | SER | ASP | LEU | ASN | ASN | ||||
| 10 | GLN | LEU | ALA | GLU | LEU | GLU |
Samples:
sample_1: entity, [U-100% 13C; U-100% 15N], 0.7 mM; TRIS 25 mM; sodium chloride 150 mM; calcium chloride 20 mM; TCEP 5 mM; sodium azide .05%
sample_conditions_1: ionic strength: 0.195 M; pH: 7.38; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
VNMR, Varian - collection
SPARKY, Goddard - chemical shift assignment, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TALOS, Cornilescu, Delaglio and Bax - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - data analysis
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts