BMRB Entry 27476
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27476
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Title: Cardiac troponin I_135-209 chemical shift PubMed: 30659884
Deposition date: 2018-05-10 Original release date: 2019-02-07
Authors: Mahmud, Zabed
Citation: Mahmud, Zabed; Zahran, Somaya; Liu, Philip; Reiz, Bela; Chan, Brandon; Roczkowsky, Andrej; McCartney, Christian-Scott; Davies, Peter; Li, Liang; Schulz, Richard; Hwang, Peter. "Structure and proteolytic susceptibility of the inhibitory C-terminal tail of cardiac troponin I." Biochim. Biophys. Acta Gen. Subj. 1863, 661-671 (2019).
Assembly members:
Cardiac_Troponin_I_[135-209], polymer, 76 residues, Formula weight is not available
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):
Cardiac_Troponin_I_[135-209]: MRGKFKRPTLRRVRISADAM
MQALLGARAKESLDLRAHLK
QVKKEDTEKENREVGDWRKN
IDALSGMEGRKKKFES
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 307 |
| 15N chemical shifts | 74 |
| 1H chemical shifts | 367 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cTnI135-209 | 1 |
Entities:
Entity 1, cTnI135-209 76 residues - Formula weight is not available
| 1 | MET | ARG | GLY | LYS | PHE | LYS | ARG | PRO | THR | LEU | ||||
| 2 | ARG | ARG | VAL | ARG | ILE | SER | ALA | ASP | ALA | MET | ||||
| 3 | MET | GLN | ALA | LEU | LEU | GLY | ALA | ARG | ALA | LYS | ||||
| 4 | GLU | SER | LEU | ASP | LEU | ARG | ALA | HIS | LEU | LYS | ||||
| 5 | GLN | VAL | LYS | LYS | GLU | ASP | THR | GLU | LYS | GLU | ||||
| 6 | ASN | ARG | GLU | VAL | GLY | ASP | TRP | ARG | LYS | ASN | ||||
| 7 | ILE | ASP | ALA | LEU | SER | GLY | MET | GLU | GLY | ARG | ||||
| 8 | LYS | LYS | LYS | PHE | GLU | SER |
Samples:
sample_1: Cardiac Troponin I [135-209], [U-99% 15N], 250 uM; imidazole 10 mM; D2O 10%; DSS, [U-2H], 0.5 mM; sodium azide 0.01%
sample_conditions_1: ionic strength: 100 mM; pH: 6.8; 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 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Johnson, One Moon Scientific, Varian - chemical shift assignment, collection, processing
NMR spectrometers:
- Varian INOVA 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts