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 4994

Title: Structure of the C-domain of Human Cardiac Troponin C in Complex with the Ca2+ Sensitizing Drug EMD 57033   PubMed: 11320096

Authors: Wang, Xu; Li, Monica; Spyracopoulos, Leo; Beier, Norbert; Chandra, Murali; Solaro, R.; Sykes, Brian

Citation: Wang, Xu; Li, Monica; Spyracopoulos, Leo; Beier, Norbert; Chandra, Murali; Solaro, R.; Sykes, Brian. "Structure of the C-domain of Human Cardiac Troponin C in Complex with the Ca2+ Sensitizing drug EMD 57033"  J. Biol. Chem. 276, 25456-25466 (2001).

Assembly members:
C-domain of human Cardiac Troponin C, polymer, 71 residues, 8230.28 Da.
EMD 57033, non-polymer, 425.501 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

Entity Sequences (FASTA):
C-domain of human Cardiac Troponin C: GKSEEELSDLFRMFDKNADG YIDLEELKIMLQATGETITE DDIEELMKDGDKNNDGRIDY DEFLEFMKGVE

Data sets:
Data typeCount
13C chemical shifts217
15N chemical shifts74
1H chemical shifts515
coupling constants48

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1C domain of cardiac troponin C1
2EMD 570332
3Ca2+ I3
4Ca2+ II3

Entities:

Entity 1, C domain of cardiac troponin C 71 residues - 8230.28 Da.

1   GLYLYSSERGLUGLUGLULEUSERASPLEU
2   PHEARGMETPHEASPLYSASNALAASPGLY
3   TYRILEASPLEUGLUGLULEULYSILEMET
4   LEUGLNALATHRGLYGLUTHRILETHRGLU
5   ASPASPILEGLUGLULEUMETLYSASPGLY
6   ASPLYSASNASNASPGLYARGILEASPTYR
7   ASPGLUPHELEUGLUPHEMETLYSGLYVAL
8   GLU

Entity 2, EMD 57033 1 residues - C22 H23 N3 O4 S - 425.501 Da.

1   EMD

Entity 3, Ca2+ I - Ca - 40.078 Da.

1   CA

Samples:

sample_1: C-domain of human Cardiac Troponin C, [U-95% 13C; U-95% 15N], 1.0 mM; EMD 57033 1.0 mM; CaCl2 5.0 mM; H2O 90%; D2O 10%

Coniditions_1: ionic strength: 0.1 M; pH: 6.7; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H DQF-COSYnot availablenot availablenot available
3D 1H-1H-13C HCCH-TOCSYnot availablenot availablenot available
3D 1H-1H-15N TOCSYnot availablenot availablenot available
3D 1H-1H-15N NOESYnot availablenot availablenot available
3D 1H-1H-15N/13C NOESYnot availablenot availablenot available
3D 1H-13C-15N HNCACBnot availablenot availablenot available
3D 1H-13C-15N CACBCONNHnot availablenot availablenot available

Software:

VNMR v6.1B - Spectra collection

NMRPipe - Spectra processing

NMRView v4.1.3 - Peak assignments

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian UNITY 600 MHz

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