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 17243

Title: The Solution Structure of Human Cardiac Troponin C in complex with the Green Tea Polyphenol; (-)-epigallocatechin-3-gallate   PubMed: 19542563

Deposition date: 2010-10-09 Original release date: 2011-06-01

Authors: Robertson, Ian; Li, Monica; Sykes, Brian

Citation: Robertson, Ian; Li, Monica; Sykes, Brian. "Solution structure of human cardiac troponin C in complex with the green tea polyphenol, (-)-epigallocatechin 3-gallate."  J. Biol. Chem. 284, 23012-23023 (2009).

Assembly members:
cCTnC, polymer, 72 residues, 8369.260 Da.
CA, non-polymer, 40.078 Da.
EGC, non-polymer, 602.797 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   Vector: PET3C

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

Data sets:
Data typeCount
13C chemical shifts219
15N chemical shifts70
1H chemical shifts467

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1cCTnC1
2CALCIUM ION_12
3CALCIUM ION_22
4(-)-EPIGALLOCATECHIN GALLATE3

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 ION_1 - Ca - 40.078 Da.

1   CA

Entity 3, (-)-EPIGALLOCATECHIN GALLATE - C32 H58 O10 - 602.797 Da.

1   EGC

Samples:

sample_1: cCTnC, [U-100% 13C; U-100% 15N], 0.5 – 1.0 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Varian Unity 500 MHz
  • Varian Unity 600 MHz

Related Database Links:

BMRB 15385 15388 15400 15427 16752 17440 19816 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
AlphaFold P63316

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