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 19789

Title: N domain of cardiac troponin C bound to the switch fragment of fast skeletal troponin I at pH 6   PubMed: 24333682

Authors: Robertson, Ian; Pineda-Sanabria, Sandra; Holmes, Peter; Sykes, Brian

Citation: Robertson, Ian; Pineda-Sanabria, Sandra; Holmes, Peter; Sykes, Brian. "Conformation of the critical pH sensitive region of troponin depends upon a single residue in troponin I."  Arch. Biochem. Biophys. ., .-. (2013).

Assembly members:
cNTnC, polymer, 89 residues, 10070.361 Da.
sTnI(115-131), polymer, 17 residues, 1862.297 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):
cNTnC: MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRCMKDDS
sTnI(115-131): RMSADAMLKALLGSKHK

Data sets:
Data typeCount
13C chemical shifts94
15N chemical shifts82
1H chemical shifts416

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1cNTnC1
2sTnI(115-131)2
3entity_CA3

Entities:

Entity 1, cNTnC 89 residues - 10070.361 Da.

1   METASPASPILETYRLYSALAALAVALGLU
2   GLNLEUTHRGLUGLUGLNLYSASNGLUPHE
3   LYSALAALAPHEASPILEPHEVALLEUGLY
4   ALAGLUASPGLYCYSILESERTHRLYSGLU
5   LEUGLYLYSVALMETARGMETLEUGLYGLN
6   ASNPROTHRPROGLUGLULEUGLNGLUMET
7   ILEASPGLUVALASPGLUASPGLYSERGLY
8   THRVALASPPHEASPGLUPHELEUVALMET
9   METVALARGCYSMETLYSASPASPSER

Entity 2, sTnI(115-131) 17 residues - 1862.297 Da.

1   ARGMETSERALAASPALAMETLEULYSALA
2   LEULEUGLYSERLYSHISLYS

Entity 3, entity_CA - Ca - 40.078 Da.

1   CA

Samples:

sample_1: cNTnC, [U-95% 13C; U-95% 15N], 0.2 – 0.3 mM; sTnI(115-131)2 – 2.5 mM; DSS 0.25 mM; potassium chloride 100 mM; imidazole 10 mM; Calcium 10 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.12 M; pH: 6.00; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

PSVS, Bhattacharya and Montelione - data analysis, refinement

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

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

NMR spectrometers:

  • Varian Unity 600 MHz
  • Varian INOVA 500 MHz

Related Database Links:

BMRB 15385 15388 15400 15427 16190 16752 17103 25034 25035 25120 25495 4401
PDB
DBJ BAA02369 BAG36483
EMBL CAA30736 CAG46663 CAG46683 CAA32392 CAB59981 CAF89916 CAF89918 CAF89919
GB AAA36772 AAA37492 AAA37493 AAA48654 AAA49502 AAA19813 AAA31490 AAA40485 AAA42149 AAB26824
PIR S07450 TPHUCC
PRF 1403394A 1510257A 750650A 1914142A
REF NP_001029277 NP_001029523 NP_001123715 NP_001272501 NP_001291793 NP_001027530 NP_001076252 NP_001139301 NP_001139313 NP_001162377
SP P02591 P05936 P09860 P19123 P63315 P02643 P13412 P27768 P48788
TPG DAA16908 DAA13498