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 16190

Title: Structure of the N-terminal domain of human cardiac troponin C bound to calcium ion and to the inhibitor W7   PubMed: 19419198

Authors: Hoffman, Ryan; Sykes, Brian

Citation: Hoffman, Ryan; Sykes, Brian. "Structure of the inhibitor w7 bound to the regulatory domain of cardiac troponin C"  Biochemistry 48, 5541-5552 (2009).

Assembly members:
cNTnC, polymer, 89 residues, 10038.240 Da.
WW7, non-polymer, 340.868 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):
cNTnC: MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDS

Data sets:
Data typeCount
13C chemical shifts21
1H chemical shifts63

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1cNTnC1
2N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE2
3calcium ion3

Entities:

Entity 1, cNTnC 89 residues - 10038.240 Da.

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

Entity 2, N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE - C16 H21 Cl N2 O2 S - 340.868 Da.

1   WW7

Entity 3, calcium ion - Ca - 40.078 Da.

1   CA

Samples:

sample: cNTnC, [U-99% 13C; U-99% 15N], 0.8 mM; CALCIUM ION 4.9 mM; N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE 0.8 mM; imidazole 10 mM; DSS, [U-99% 2H], 83 mM

sample_conditions: pH: 6.75; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
3D-{1H,12C}-filtered-{1H,13C}-edited NOESYsampleisotropicsample_conditions

Software:

VNMRJ, Varian - collection, processing

NMRViewJ v8.0.a18, One Moon Scientific Inc. - spectral assignment

Fillshifts v4.02, Leigh Willard, Stephane Gagne, and Pascal Mercier - averaging of chemical shifts

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

BMRB 15385 15388 15400 15427 16752 17103 19789 25034 25035 25120 25495 25797
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