BMRB Entry 4994
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4994
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Wang, Xu; Li, Monica; Spyracopoulos, Leo; Beier, Norbert; Chandra, Murali; Solaro, R.; Sykes, Brian. "Structure of the C-domain of Human Cardiac Troponin C in Complex with the Ca2+
Sensitizing drug EMD 57033" J. Biol. Chem. 276, 25456-25466 (2001).
PubMed: 11320096
Assembly members:
C-domain of human Cardiac Troponin C, polymer, 71 residues, 8230.28 Da.
EMD 57033, non-polymer, 425.501 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
Entity Sequences (FASTA):
C-domain of human Cardiac Troponin C: GKSEEELSDLFRMFDKNADG
YIDLEELKIMLQATGETITE
DDIEELMKDGDKNNDGRIDY
DEFLEFMKGVE
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 13C chemical shifts | 217 |
| 15N chemical shifts | 74 |
| 1H chemical shifts | 515 |
| coupling constants | 48 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | C domain of cardiac troponin C | 1 |
| 2 | EMD 57033 | 2 |
| 3 | Ca2+ I | 3 |
| 4 | Ca2+ II | 3 |
Entities:
Entity 1, C domain of cardiac troponin C 71 residues - 8230.28 Da.
| 1 | GLY | LYS | SER | GLU | GLU | GLU | LEU | SER | ASP | LEU | ||||
| 2 | PHE | ARG | MET | PHE | ASP | LYS | ASN | ALA | ASP | GLY | ||||
| 3 | TYR | ILE | ASP | LEU | GLU | GLU | LEU | LYS | ILE | MET | ||||
| 4 | LEU | GLN | ALA | THR | GLY | GLU | THR | ILE | THR | GLU | ||||
| 5 | ASP | ASP | ILE | GLU | GLU | LEU | MET | LYS | ASP | GLY | ||||
| 6 | ASP | LYS | ASN | ASN | ASP | GLY | ARG | ILE | ASP | TYR | ||||
| 7 | ASP | GLU | PHE | LEU | GLU | PHE | MET | LYS | GLY | VAL | ||||
| 8 | GLU |
Entity 2, EMD 57033 1 residues - C22 H23 N3 O4 S - 425.501 Da.
| 1 | EMD |
Entity 3, Ca2+ I - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: C-domain of human Cardiac Troponin C, [U-95% 13C; U-95% 15N], 1.0 mM; EMD 57033 1.0 mM; CaCl2 5.0 mM; H2O 90%; D2O 10%
Coniditions_1: ionic strength: 0.1 M; pH: 6.7; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H DQF-COSY | not available | not available | not available |
| 3D 1H-1H-13C HCCH-TOCSY | not available | not available | not available |
| 3D 1H-1H-15N TOCSY | not available | not available | not available |
| 3D 1H-1H-15N NOESY | not available | not available | not available |
| 3D 1H-1H-15N/13C NOESY | not available | not available | not available |
| 3D 1H-13C-15N HNCACB | not available | not available | not available |
| 3D 1H-13C-15N CACBCONNH | not available | not available | not available |
Software:
VNMR v6.1B - Spectra collection
NMRPipe - Spectra processing
NMRView v4.1.3 - Peak assignments
NMR spectrometers:
- Varian INOVA 500 MHz
- Varian UNITY 600 MHz
Related Database Links:
| PDB |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
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SPARKY: Backbone
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