BMRB Entry 5386
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5386
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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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).
PubMed: 12060657
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 Vector: pET-3
Entity Sequences (FASTA):
human cardiac troponin C, regulatory domain: MDDIYKAAVEQLTEEQKNEF
KAAFDIFVLGAEDGCISTKE
LGKVMRMLGQNPTPEELQEM
IDEVDEDGSGTVDFDEFLVM
MVRCMKDDS
human cardiac troponin I, residues 147 to 163: RISADAMMQALLGARAK
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 636 |
| 13C chemical shifts | 281 |
| 15N chemical shifts | 90 |
| coupling constants | 33 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cTnC Regulatory Domain | 1 |
| 2 | cTnI Switch Peptide | 2 |
| 3 | Bepridil | 3 |
| 4 | Calcium ion | 4 |
Entities:
Entity 1, cTnC Regulatory Domain 89 residues - 10062 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, cTnI Switch Peptide 17 residues - 1803 Da.
| 1 | ARG | ILE | SER | ALA | ASP | ALA | MET | MET | GLN | ALA | ||||
| 2 | LEU | LEU | GLY | ALA | ARG | ALA | LYS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | not available | cond_1 |
| 3D 1H-15N DIPSI | sample_1 | not available | cond_1 |
| 3D 1H-13C,15N NOESY | sample_1 | not available | cond_1 |
| HCCH-TOCSY | sample_1 | not available | cond_1 |
| HNCACB | sample_1 | not available | cond_1 |
| CBCA(CO)NNH | sample_1 | not available | cond_1 |
| 3D 13C,15N-filtered, edited NOESY | sample_1 | not available | cond_1 |
| 2D 13C,15N-filtered DIPSI | sample_1 | not available | cond_1 |
| 2D 13C,15N-filtered NOESY | sample_1 | not available | cond_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:
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks