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Biological Magnetic Resonance Data Bank


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BMRB Entry 19816

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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/BMR19816
MolProbity Validation Chart

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Title: NMR structure of the C-domain of troponin C bound to the anchoring region of troponin I   PubMed: 18803402

Deposition date: 2014-02-26 Original release date: 2014-03-10

Authors: Robertson, Ian; Baryshnikova, Olga; Mercier, Pascal; Sykes, Brian

Citation: Baryshnikova, Olga; Robertson, Ian; Mercier, Pascal; Sykes, Brian. "The dilated cardiomyopathy G159D mutation in cardiac troponin C weakens the anchoring interaction with troponin I."  Biochemistry 47, 10950-10960 (2008).

Assembly members:
cCTnC, polymer, 72 residues, 8369.260 Da.
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
cCTnC: MGKSEEELSDLFRMFDKNAD GYIDLDELKIMLQATGETIT EDDIEELMKDGDKNNDGRID YDEFLEFMKGVE

Data sets:
Data typeCount
1H chemical shifts403
13C chemical shifts216
15N chemical shifts70

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1cCTnC1
2Calcium_12
3Calcium_22

Entities:

Entity 1, cCTnC 72 residues - 8369.260 Da.

1   METGLYLYSSERGLUGLUGLULEUSERASP
2   LEUPHEARGMETPHEASPLYSASNALAASP
3   GLYTYRILEASPLEUASPGLULEULYSILE
4   METLEUGLNALATHRGLYGLUTHRILETHR
5   GLUASPASPILEGLUGLULEUMETLYSASP
6   GLYASPLYSASNASNASPGLYARGILEASP
7   TYRASPGLUPHELEUGLUPHEMETLYSGLY
8   VALGLU

Entity 2, Calcium_1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: cCTnC, [U-95% 13C; U-95% 15N], 0.5 mM; Calcium 2 mM; DSS 0.2 mM; potassium chloride 100 mM; sodium azide 5 mM; imidazole 10 mM; troponin I(34-71) 1.2 mM; H2O 90%; D2O 10%

sample_2: cCTnC, [U-95% 13C; U-95% 15N], 0.5 mM; Calcium 2 mM; DSS 0.2 mM; potassium chloride 100 mM; sodium azide 5 mM; imidazole 0.5 mM; troponin I(34-71) 1.2 mM; imidazole, [U-2H], 9.5 mM; D2O 100%

sample_conditions_1: temperature: 273 K; pH: 6.7; pressure: 1 atm; ionic strength: 0.12 M

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D 13C,15N Filtered NOESYsample_1isotropicsample_conditions_1
2D 13C,15N Filtered TOCSYsample_1isotropicsample_conditions_1
3D 13C Edited, Filtered NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution, geometry optimization

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - peak picking, chemical shift assignment

ProcheckNMR, Laskowski and MacArthur - refinement, data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, geometry optimization

VNMRJ, Varian - processing

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian Unity 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

BMRB 15385 15388 15400 15427 16752 17243 17440 19817 25120
PDB
DBJ BAA02369 BAG36483
EMBL CAA30736 CAG46663 CAG46683
GB AAA36772 AAA37492 AAA37493 AAA48654 AAB91994
PIR TPHUCC
PRF 1510257A 750650A
REF NP_001029277 NP_001029523 NP_001123715 NP_001272501 NP_001291793
SP P02591 P09860 P19123 P63315 P63316
TPG DAA16908

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