BMRB Entry 17440

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17440
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Title:
Structure of trans-Resveratrol in complex with the cardiac regulatory protein Troponin C
Deposition date:
2011-02-02
Original release date:
2011-02-24
Authors:
Sykes, Brian; Pineda-Sanabria, Sandra; Robertson, Ian
Citation:

Citation: Pineda-Sanabria, Sandra; Robertson, Ian; Sykes, Brian. "Structure of trans-Resveratrol in Complex with the Cardiac Regulatory Protein Troponin C."  Biochemistry 50, 1309-1320 (2011).
PubMed: 21226534

Assembly members:

Assembly members:
CcTnC, polymer, 72 residues, 8369.260 Da.
STL, non-polymer, 228.243 Da.
CA, non-polymer, 40.078 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET3C

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
1H chemical shifts9

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1CcTnC1
2RESVERATROL2
3Calcium ion3

Entities:

Entity 1, CcTnC 72 residues - 8369.260 Da.

C- domain of human cardiac Troponin C, residues 90 to 161

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

Entity 2, RESVERATROL - C14 H12 O3 - 228.243 Da.

1   STL

Entity 3, Calcium ion - Ca - 40.078 Da.

1   CA

Samples:

sample_1: CcTnC, [U-100% 13C; U-100% 15N], 0.5 mM; RESVERATROL 2.0 mM; CALCIUM ION 10.0 mM; TCEP6 – 8 mM; DSS, [U-99% 2H], 0.5 mM; potassium chloride 100 mM; imidazole 10 mM; H2O 100%

sample_2: CcTnC, [U-100% 13C; U-100% 15N], 0.5 mM; RESVERATROL 2.0 mM; CALCIUM ION 10.0 mM; TCEP6 – 8 mM; DSS, [U-99% 2H], 0.5 mM; potassium chloride 100 mM; imidazole 8 mM; imidazole, [U-2H], 2 mM; D2O 100%

sample_conditions_1: pH: 6.9; pressure: 1 atm; temperature: 303 K

sample_conditions_2: pH: 6.9; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H ROESYsample_2isotropicsample_conditions_1
2D 13C-15N filtered NOESYsample_1isotropicsample_conditions_1
2D 13C edited/filtered NOESY-HSQCsample_1isotropicsample_conditions_1
3D 13C edited/filtered HMQC-NOESYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

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

NMRView, Johnson, One Moon Scientific - data analysis

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

NMR spectrometers:

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

Related Database Links:

BMRB 15385 15388 15400 15427 16752 17243 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 P02591 P09860 P19123 P63315 P63316