BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18464

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

Data sets:
Data typeCount
13C chemical shifts572
15N chemical shifts135
1H chemical shifts901

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1NCX31

Entities:

Entity 1, NCX3 157 residues - 16781.945 Da.

1   METALASERHISHISHISHISHISHISHIS
2   ALAGLYILEPHETHRPHEGLUCYSASPTHR
3   ILEHISVALSERGLUSERILEGLYVALMET
4   GLUVALLYSVALLEUARGTHRSERGLYALA
5   ARGGLYTHRVALILEVALPROPHEARGTHR
6   VALGLUGLYTHRALALYSGLYGLYGLYGLU
7   ASPPHEGLUASPALATYRGLYGLULEUGLU
8   PHELYSASNASPGLUTHRVALLYSTHRILE
9   ARGVALLYSILEVALASPGLUGLUGLUTYR
10   GLUARGGLNGLUASNPHEPHEILEALALEU
11   GLYGLUPROLYSTRPMETGLUARGGLYILE
12   SERGLUVALTHRASPARGLYSLEUTHRVAL
13   GLUGLUGLUGLUALALYSARGILEALAGLU
14   METGLYLYSPROVALLEUGLYGLUHISPRO
15   LYSLEUGLUVALILEILEGLUGLUSERTYR
16   GLUPHELYSSERTHRVALASP

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
2D 1H-15N IPAP HSQCsample_pf1phageanisotropicsample_conditions_1
2D 1H-13C IPAP HSQCsample_isotropeisotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_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

Related Database Links:

UNP Q7TS90
PDB
GB EDL02702

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts