BMRB Entry 19789
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19789
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Title: N domain of cardiac troponin C bound to the switch fragment of fast skeletal troponin I at pH 6 PubMed: 24333682
Deposition date: 2014-02-11 Original release date: 2014-02-11
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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 94 |
| 15N chemical shifts | 82 |
| 1H chemical shifts | 416 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cNTnC | 1 |
| 2 | sTnI(115-131) | 2 |
| 3 | entity_CA | 3 |
Entities:
Entity 1, cNTnC 89 residues - 10070.361 Da.
| 1 | MET | ASP | ASP | ILE | TYR | LYS | ALA | ALA | VAL | GLU | ||||
| 2 | GLN | LEU | THR | GLU | GLU | GLN | LYS | ASN | GLU | PHE | ||||
| 3 | LYS | ALA | ALA | PHE | ASP | ILE | PHE | VAL | LEU | GLY | ||||
| 4 | ALA | GLU | ASP | GLY | CYS | ILE | SER | THR | LYS | GLU | ||||
| 5 | LEU | GLY | LYS | VAL | MET | ARG | MET | LEU | GLY | GLN | ||||
| 6 | ASN | PRO | THR | PRO | GLU | GLU | LEU | GLN | GLU | MET | ||||
| 7 | ILE | ASP | GLU | VAL | ASP | GLU | ASP | GLY | SER | GLY | ||||
| 8 | THR | VAL | ASP | PHE | ASP | GLU | PHE | LEU | VAL | MET | ||||
| 9 | MET | VAL | ARG | CYS | MET | LYS | ASP | ASP | SER |
Entity 2, sTnI(115-131) 17 residues - 1862.297 Da.
| 1 | ARG | MET | SER | ALA | ASP | ALA | MET | LEU | LYS | ALA | ||||
| 2 | LEU | LEU | GLY | SER | LYS | HIS | LYS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_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:
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts