BMRB Entry 18464
Click here to enlarge.
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/BMR18464
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: The solution structure of Ca2+ binding domain 2B of the third isoform of the Na+/Ca2+ exchanger PubMed: 22806131
Deposition date: 2012-05-15 Original release date: 2012-07-30
Authors: Breukels, Vincent; Touw, Wouter; Vuister, Geerten
Citation: Breukels, Vincent; Touw, Wouter; Vuister, Geerten. "NMR structure note: solution structure of Ca2+ binding domain 2B of the third isoform of the Na+/Ca2+ exchanger" J. Biomol. NMR 54, 115-121 (2012).
Assembly members:
NCX3, polymer, 157 residues, 16781.945 Da.
Natural source: Common Name: House mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
NCX3: MASHHHHHHHAGIFTFECDT
IHVSESIGVMEVKVLRTSGA
RGTVIVPFRTVEGTAKGGGE
DFEDAYGELEFKNDETVKTI
RVKIVDEEEYERQENFFIAL
GEPKWMERGISEVTDRKLTV
EEEEAKRIAEMGKPVLGEHP
KLEVIIEESYEFKSTVD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 572 |
| 15N chemical shifts | 135 |
| 1H chemical shifts | 901 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NCX3 | 1 |
Entities:
Entity 1, NCX3 157 residues - 16781.945 Da.
| 1 | MET | ALA | SER | HIS | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | ALA | GLY | ILE | PHE | THR | PHE | GLU | CYS | ASP | THR | ||||
| 3 | ILE | HIS | VAL | SER | GLU | SER | ILE | GLY | VAL | MET | ||||
| 4 | GLU | VAL | LYS | VAL | LEU | ARG | THR | SER | GLY | ALA | ||||
| 5 | ARG | GLY | THR | VAL | ILE | VAL | PRO | PHE | ARG | THR | ||||
| 6 | VAL | GLU | GLY | THR | ALA | LYS | GLY | GLY | GLY | GLU | ||||
| 7 | ASP | PHE | GLU | ASP | ALA | TYR | GLY | GLU | LEU | GLU | ||||
| 8 | PHE | LYS | ASN | ASP | GLU | THR | VAL | LYS | THR | ILE | ||||
| 9 | ARG | VAL | LYS | ILE | VAL | ASP | GLU | GLU | GLU | TYR | ||||
| 10 | GLU | ARG | GLN | GLU | ASN | PHE | PHE | ILE | ALA | LEU | ||||
| 11 | GLY | GLU | PRO | LYS | TRP | MET | GLU | ARG | GLY | ILE | ||||
| 12 | SER | GLU | VAL | THR | ASP | ARG | LYS | LEU | THR | VAL | ||||
| 13 | GLU | GLU | GLU | GLU | ALA | LYS | ARG | ILE | ALA | GLU | ||||
| 14 | MET | GLY | LYS | PRO | VAL | LEU | GLY | GLU | HIS | PRO | ||||
| 15 | LYS | LEU | GLU | VAL | ILE | ILE | GLU | GLU | SER | TYR | ||||
| 16 | GLU | PHE | LYS | SER | THR | VAL | ASP |
Samples:
sample_1: NCX3, [U-100% 13C; U-100% 15N], 0.5 ± 0.1 mM; HEPES 20 ± 0.1 mM; beta-mercaptoethanol 20 ± 0.1 mM; CaCl2 10 ± 0.1 mM; H2O 95 ± 0.1 %; D2O 5 ± 0.1 %
sample_pf1phage: NCX3, [U-100% 15N], 0.5 ± 0.1 mM; HEPES 20 ± 0.1 mM; beta-mercaptoethanol 20 ± 0.1 mM; CaCl2 10 ± 0.1 mM; Pf1 phage 8 ± 0.5 mg/mL; H2O 95 ± 0.1 %; D2O 5 ± 0.1 %
sample_isotrope: NCX3, [U-100% 15N], 0.5 ± 0.1 mM; HEPES 20 ± 0.1 mM; beta-mercaptoethanol 20 ± 0.1 mM; CaCl2 10 ± 0.1 mM; H2O 95 ± 0.1 %; D2O 5 ± 0.1 %
sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 306 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N IPAP HSQC | sample_pf1phage | anisotropic | sample_conditions_1 |
| 2D 1H-13C IPAP HSQC | sample_isotrope | 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 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CCPN_Analysis v2.2.2, CCPN - chemical shift assignment, peak picking
NMRPipe v2007, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw v2007, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
YASARA v11.9.18, E. Krieger, Koraimann G, Vriend G - refinement
NMR spectrometers:
- Varian INOVA 800 MHz
- 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