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Biological Magnetic Resonance Data Bank


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BMRB Entry 19817

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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/BMR19817
MolProbity Validation Chart

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Title: NMR structure of the dilated cardiomyopathy mutation G159D in troponin C bound to the anchoring region of troponin I   PubMed: 18803402

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

Authors: Baryshnikova, Olga; Robertson, Ian; 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, 8427.296 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 YDEFLEFMKDVE

Data sets:
Data typeCount
1H chemical shifts439
13C chemical shifts221
15N chemical shifts76

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 - 8427.296 Da.

1   METGLYLYSSERGLUGLUGLULEUSERASP
2   LEUPHEARGMETPHEASPLYSASNALAASP
3   GLYTYRILEASPLEUASPGLULEULYSILE
4   METLEUGLNALATHRGLYGLUTHRILETHR
5   GLUASPASPILEGLUGLULEUMETLYSASP
6   GLYASPLYSASNASNASPGLYARGILEASP
7   TYRASPGLUPHELEUGLUPHEMETLYSASP
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
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 13C-15N Filtered 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 13C-15N Filtered 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 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

TALOS, Cornilescu, Delaglio and Bax - data analysis, refinement

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

VNMRJ, Varian - data analysis

NMR spectrometers:

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

Related Database Links:

BMRB 15385 15388 15400 15427 17243 17440 19816 25120
PDB
DBJ BAG36483
EMBL CAA30736 CAG46663 CAG46683
GB AAA36772 AAA37492 AAA37493 AAB91994 AAH30244
PIR TPHUCC
PRF 1510257A 750650A
REF NP_001029277 NP_001029523 NP_001123715 NP_001272501 NP_003271
SP P02591 P19123 P63315 P63316 P63317
TPG DAA16908

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