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 5386

Title: 1H, 13C, 15N Chemical Shift Assignments of cNTnC and cTnI(147-163) in the cNTnC-cTnI(147-163)-Bepridil Ternary complex   PubMed: 12060657

Authors: Wang, Xu; Li, Monica; Sykes, Brian

Citation: Wang, Xu; Li, Monica; Sykes, Brian. "Structure of the Regulatory N-domain of Human Cardiac Troponin C in Complex with Human Cardiac Troponin I147-163 and Bepridil "  J. Biol. Chem. 277, 31124-31133 (2002).

Assembly members:
human cardiac troponin C, regulatory domain, polymer, 89 residues, 10062 Da.
human cardiac troponin I, residues 147 to 163, polymer, 17 residues, 1803 Da.
BEP, non-polymer, 366.540 Da.
CA, 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):
human cardiac troponin C, regulatory domain: MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRCMKDDS
human cardiac troponin I, residues 147 to 163: RISADAMMQALLGARAK

Data sets:
Data typeCount
1H chemical shifts636
13C chemical shifts281
15N chemical shifts90
coupling constants33

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1cTnC Regulatory Domain1
2cTnI Switch Peptide2
3Bepridil3
4Calcium ion4

Entities:

Entity 1, cTnC Regulatory Domain 89 residues - 10062 Da.

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

Entity 2, cTnI Switch Peptide 17 residues - 1803 Da.

1   ARGILESERALAASPALAMETMETGLNALA
2   LEULEUGLYALAARGALALYS

Entity 3, Bepridil - C24 H34 N2 O - 366.540 Da.

1   BEP

Entity 4, Calcium ion - Ca - 40.078 Da.

1   CA

Samples:

sample_1: human cardiac troponin C, regulatory domain, [U-99% 13C; U-99% 15N], 1.0 mM; human cardiac troponin I, residues 147 to 163 3.5 mM; 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE 1.4 mM; KCl 0.1 M; DTT 5.0 mM; DSS 0.05 mM

cond_1: pH: 6.7; temperature: 303 K; ionic strength: 0.1 M

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1not availablecond_1
3D 1H-15N DIPSIsample_1not availablecond_1
3D 1H-13C,15N NOESYsample_1not availablecond_1
HCCH-TOCSYsample_1not availablecond_1
HNCACBsample_1not availablecond_1
CBCA(CO)NNHsample_1not availablecond_1
3D 13C,15N-filtered, edited NOESYsample_1not availablecond_1
2D 13C,15N-filtered DIPSIsample_1not availablecond_1
2D 13C,15N-filtered NOESYsample_1not availablecond_1

Software:

NMRPipe - processing

NMRView - data analysis

NMR spectrometers:

  • Varian UnityInova 500 MHz
  • Varian Unity 600 MHz
  • Varian Unityplus 800 MHz
  • Varian Unity 300 MHz

Related Database Links:

REF XP_001085656 XP_001134934 XP_001086032 XP_001085820 NP_001092069 NP_000354
SWISS-PROT P05936 P19429 P08057
PIR S07450
PRF 1403394A 1616225A
GenBank ABP63533 EDL88960 AAH99631 AAH96167 AAH96166 AAH96165 AAA16157
PDB
BMRB 862 934 4824 846 4822 4823 4824
EMBL CAH92121 CAH57016 CAG46782 CAA62301 CAA38102
DBJ BAD97171