BMRB Entry 16190
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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/BMR16190
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Title: Structure of the N-terminal domain of human cardiac troponin C bound to calcium ion and to the inhibitor W7 PubMed: 19419198
Deposition date: 2009-02-28 Original release date: 2009-05-20
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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 21 |
| 1H chemical shifts | 63 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cNTnC | 1 |
| 2 | N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE | 2 |
| 3 | calcium ion | 3 |
Entities:
Entity 1, cNTnC 89 residues - 10038.240 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 | SER | 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 | SER | MET | LYS | ASP | ASP | SER |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D-{1H,12C}-filtered-{1H,13C}-edited NOESY | sample | isotropic | sample_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 |