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The solution structure of Ca2+ binding domain 2B of the third isoform of the Na+/Ca2+ exchanger
Authors
Breukels, V., Touw, W.G., Vuister, G.W.
Assembly
NCX3
Entity
1. NCX3 (polymer, Thiol state: not present), 157 monomers, 17871.79 Da Detail

MASHHHHHHH AGIFTFECDT IHVSESIGVM EVKVLRTSGA RGTVIVPFRT VEGTAKGGGE DFEDAYGELE FKNDETVKTI RVKIVDEEEY ERQENFFIAL GEPKWMERGI SEVTDRKLTV EEEEAKRIAE MGKPVLGEHP KLEVIIEESY EFKSTVD


Formula weight
17871.79 Da
Source organism
Mus musculus
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 91.1 %, Completeness: 81.9 %, Completeness (bb): 87.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All81.9 % (1487 of 1816)81.1 % (763 of 941)81.6 % (586 of 718)87.9 % (138 of 157)
Backbone87.0 % (813 of 934)89.2 % (288 of 323)85.4 % (391 of 458)87.6 % (134 of 153)
Sidechain78.4 % (804 of 1026)77.0 % (476 of 618)80.2 % (324 of 404)100.0 % (4 of 4)
Aromatic52.0 % (79 of 152)53.9 % (41 of 76)49.3 % (37 of 75)100.0 % (1 of 1)
Methyl97.0 % (161 of 166)96.4 % (80 of 83)97.6 % (81 of 83)

1. NCX3

MASHHHHHHH AGIFTFECDT IHVSESIGVM EVKVLRTSGA RGTVIVPFRT VEGTAKGGGE DFEDAYGELE FKNDETVKTI RVKIVDEEEY ERQENFFIAL GEPKWMERGI SEVTDRKLTV EEEEAKRIAE MGKPVLGEHP KLEVIIEESY EFKSTVD

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 306 (±1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1NCX3[U-100% 13C; U-100% 15N]0.5 (±0.1) mM
2HEPESnatural abundance20 (±0.1) mM
3beta-mercaptoethanolnatural abundance20 (±0.1) mM
4CaCl2natural abundance10 (±0.1) mM
5H2Onatural abundance95 (±0.1) %
6D2Onatural abundance5 (±0.1) %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 306 (±1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
7NCX3[U-100% 15N]0.5 (±0.1) mM
8HEPESnatural abundance20 (±0.1) mM
9beta-mercaptoethanolnatural abundance20 (±0.1) mM
10CaCl2natural abundance10 (±0.1) mM
11Pf1 phagenatural abundance8 (±0.5) mg/mL
12H2Onatural abundance95 (±0.1) %
13D2Onatural abundance5 (±0.1) %
Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 306 (±1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
14NCX3[U-100% 15N]0.5 (±0.1) mM
15HEPESnatural abundance20 (±0.1) mM
16beta-mercaptoethanolnatural abundance20 (±0.1) mM
17CaCl2natural abundance10 (±0.1) mM
18H2Onatural abundance95 (±0.1) %
19D2Onatural abundance5 (±0.1) %

LACS Plot; CA
Referencing offset: -0.1 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.1 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.11 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: 0.07 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2LT9, Strand ID: A Detail


Release date
2012-07-29
Citation
NMR structure note: solution structure of Ca²⁺ binding domain 2B of the third isoform of the Na⁺/Ca²⁺ exchanger
Breukels, V., Touw, W.G., Vuister, G.W.
J. Biomol. NMR (2012), 54, 115-121, PubMed 22806131 , DOI 10.1007/s10858-012-9654-1 ,
Related entities 1. NCX3, : 1 : 45 entities Detail
Interaction partners 1. NCX3, : 1 interactors Detail
Experiments performed 13 experiments Detail
NMR combined restraints 4 contents Detail
Keywords calcium binding domain 2, CBD, CBD2, NaCa exchanger, NCX, NCX3