BMRB Entry 50424

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50424

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Title:
1H, 13C and 15N backbone NMR assignments of pathogenic variant C84Y of cardiac troponin C (cTnC)
Deposition date:
2020-08-05
Original release date:
2021-09-21
Authors:
Marques, Mayra; Moraes, Adolfo; Silva, Jerson; de Oliveira, Guilherme; Pinto, Jose
Citation:

Citation: Marques, Mayra; Landim-Vieira, Maicon; Moraes, Adolfo; Sun, Bin; Johnston, Jamie; Dieseldorff Jones, Karissa; Cino, Elio; Parvatiyar, Michelle; Valera, Isela; Silva, Jerson; Galkin, Vitold; Chase, P Bryant; Kekenes-Huskey, Peter; de Oliveira, Guilherme; Pinto, Jose Renato. "Anomalous structural dynamics of minimally frustrated residues in cardiac troponin C triggers hypertrophic cardiomyopathy"  Chem. Sci. 12, 7308-7323 (2021).
PubMed: 34163821

Assembly members:

Assembly members:
entity_1, polymer, 161 residues, Formula weight is not available
entity_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: pET-3d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AADIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRYMKDDSKGKSEEELSDL FRMFDKNADGYIDLEELKIM LQATGETITEDDIEELMKDG DKNNDGRIDYDEFLEFMKGV E

Data sets:
Data typeCount
13C chemical shifts461
15N chemical shifts157
1H chemical shifts572

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1polymer chain1
2metal ions2

Entities:

Entity 1, polymer chain 161 residues - Formula weight is not available

1   ALAALAASPILETYRLYSALAALAVALGLU
2   GLNLEUTHRGLUGLUGLNLYSASNGLUPHE
3   LYSALAALAPHEASPILEPHEVALLEUGLY
4   ALAGLUASPGLYCYSILESERTHRLYSGLU
5   LEUGLYLYSVALMETARGMETLEUGLYGLN
6   ASNPROTHRPROGLUGLULEUGLNGLUMET
7   ILEASPGLUVALASPGLUASPGLYSERGLY
8   THRVALASPPHEASPGLUPHELEUVALMET
9   METVALARGTYRMETLYSASPASPSERLYS
10   GLYLYSSERGLUGLUGLULEUSERASPLEU
11   PHEARGMETPHEASPLYSASNALAASPGLY
12   TYRILEASPLEUGLUGLULEULYSILEMET
13   LEUGLNALATHRGLYGLUTHRILETHRGLU
14   ASPASPILEGLUGLULEUMETLYSASPGLY
15   ASPLYSASNASNASPGLYARGILEASPTYR
16   ASPGLUPHELEUGLUPHEMETLYSGLYVAL
17   GLU

Entity 2, metal ions - Ca - 40.078 Da.

1   CA

Samples:

sample_1: Cardiac Troponin C (cTnC) C84Y, [U-100% 13C; U-100% 15N], 750 uM; MOPS 20 mM; CaCl2 6 mM; MgCl2 1 mM; KCL 100 mM; DTT 10 mM; D2O 10%

sample_conditions_1: ionic strength: 0.114 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1

Software:

ANALYSIS v2.4.2 - chemical shift assignment, peak picking

TOPSPIN v3.6 - processing

NMR spectrometers:

  • Bruker AVANCE III 750 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks