BMRB Entry 51289
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51289
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Title: Calmodulin PubMed: 35460468
Deposition date: 2022-01-23 Original release date: 2022-05-27
Authors: Bej, Aritra; Ames, James
Citation: Bej, Aritra; Ames, James. "Chemical shift assignments of calmodulin under standard conditions at neutral pH" Biomol. NMR Assignments 16, 213-218 (2022).
Assembly members:
entity_1, polymer, 149 residues, Formula weight is not available
entity_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: pET11b
Entity Sequences (FASTA):
entity_1: MADQLTEEQIAEFKEAFSLF
DKDGDGTITTKELGTVMRSL
GQNPTEAELQDMINEVDADG
NGTIDFPEFLTMMARKMKDT
DSEEEIREAFRVFDKDGNGY
ISAAELRHVMTNLGEKLTDE
EVDEMIREADIDGDGQVNYE
EFVQMMTAK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 551 |
| 15N chemical shifts | 144 |
| 1H chemical shifts | 899 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Calmodulin | 1 |
| 2 | Ca ion, 1 | 2 |
| 3 | Ca ion, 2 | 2 |
| 4 | Ca ion, 3 | 2 |
| 5 | Ca ion, 4 | 2 |
Entities:
Entity 1, Calmodulin 149 residues - Formula weight is not available
| 1 | MET | ALA | ASP | GLN | LEU | THR | GLU | GLU | GLN | ILE | ||||
| 2 | ALA | GLU | PHE | LYS | GLU | ALA | PHE | SER | LEU | PHE | ||||
| 3 | ASP | LYS | ASP | GLY | ASP | GLY | THR | ILE | THR | THR | ||||
| 4 | LYS | GLU | LEU | GLY | THR | VAL | MET | ARG | SER | LEU | ||||
| 5 | GLY | GLN | ASN | PRO | THR | GLU | ALA | GLU | LEU | GLN | ||||
| 6 | ASP | MET | ILE | ASN | GLU | VAL | ASP | ALA | ASP | GLY | ||||
| 7 | ASN | GLY | THR | ILE | ASP | PHE | PRO | GLU | PHE | LEU | ||||
| 8 | THR | MET | MET | ALA | ARG | LYS | MET | LYS | ASP | THR | ||||
| 9 | ASP | SER | GLU | GLU | GLU | ILE | ARG | GLU | ALA | PHE | ||||
| 10 | ARG | VAL | PHE | ASP | LYS | ASP | GLY | ASN | GLY | TYR | ||||
| 11 | ILE | SER | ALA | ALA | GLU | LEU | ARG | HIS | VAL | MET | ||||
| 12 | THR | ASN | LEU | GLY | GLU | LYS | LEU | THR | ASP | GLU | ||||
| 13 | GLU | VAL | ASP | GLU | MET | ILE | ARG | GLU | ALA | ASP | ||||
| 14 | ILE | ASP | GLY | ASP | GLY | GLN | VAL | ASN | TYR | GLU | ||||
| 15 | GLU | PHE | VAL | GLN | MET | MET | THR | ALA | LYS |
Entity 2, Ca ion, 1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: Calmodulin, [U-99% 13C; U-99% 15N], 0.5 mM; TRIS, [U-99% 2H], 20 mM; CaCl2 1 mM
sample_2: Calmodulin, [U-99% 13C; U-99% 15N], 0.5 mM; TRIS, [U-99% 2H], 20 mM; CaCl2 1 mM
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHANH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_1 |
| 3D 13C-separated NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe - processing
SPARKY - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Related Database Links:
| NCBI | AAD45181 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts